Ethylacetaat (CAS 141-78-6) is een chemische verbinding met de brutoformule C4H8O2 en een molmassa van 88.11 g/mol. Chemische gegevens van PubChem (National Institutes of Health, USA).

Wat is het CAS-nummer van Ethylacetaat?

Het CAS-nummer (Chemical Abstracts Service) van Ethylacetaat is 141-78-6.

Wat is de chemische formule van Ethylacetaat?

De brutoformule van Ethylacetaat is C4H8O2. IUPAC-naam: ethyl acetate.

Waar Ethylacetaat (CAS 141-78-6) kopen?

Ethylacetaat (CAS 141-78-6) is verkrijgbaar in de winkel Eapearl Chemical: https://epchems.online/products/ethyl-acetate/. Actuele prijs- en beschikbaarheidsinformatie vindt u op de productpagina.

Ethyl acetate

Name: Ethyl acetate
Brand: Eapearl
Availability: InStock

CAS 141-78-6 C4H8O2 Other SDS published CLP Danger

📄 Veiligheidsinformatieblad downloaden (PDF)

⚠️ Note: This safety data sheet is provided in English; a localized version is being prepared.

MolGod_SDSCARD_1

REACH 2020/878

v2 · 08.09.2026

Specification

MF	C4H8O2
Molecular weight	88.11

Values are typical for the standard grade. Tighter specifications are available — state the target in your inquiry and we confirm against the production batch.

Hazard classification

Danger

Harmonised classification (EU) — ECHA Annex VI (harmonised, ATP 23; 2026-07-07)

H225 Highly flammable liquid and vapour
H336 May cause drowsiness or dizziness
H319 Causes serious eye irritation
EUH066 Repeated exposure may cause skin dryness or cracking.

Precautionary statements (1)

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking

Full safety data sheet CLP label (EN)

European Chemicals Agency. "ethyl acetate, Index No. 607-022-00-5." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Substance identity verified against the registry entry on 2026-09-02.

Related products

Sodium Nitrate

Nitrate of Sod a

CAS 7631-99-4 99% Other SDS Warning

Salicylic acid

CAS 69-72-7 99.50% Other SDS Danger

Phosphotungstic acid

PTA

CAS 12067-99-1 99% Other SDS Danger

🧬 3D-molecuulvisualisator

Gegevens overgenomen uit regelgevende registers en vakliteratuur, met vermelding van bron en editie. Zij vervangen niet het veiligheidsinformatieblad van de leverancier. Velden zonder vastgelegde bron zijn als zodanig gemarkeerd.

📊 Fysisch-chemische gegevens — CAS 141-78-6MolGod_PROPHUB_MAIN

📊 Fysisch-chemische eigenschappen

Snel overzicht

Formule: C₄H₈O₂

MW: 88.11 g/mol

CAS: 141-78-6

Gedetailleerde eigenschappen

A supplement to the „Physicochemical properties (database)” table below — repeated values are shown only once.

Eigenschap	Waarde	Eenheid	Condities	Bron
Brekingsindex (n_D)	1.3724		20 °C, D-line	Reid, Prausnitz, Poling 4th ed. (1987)

🔬 Geavanceerde eigenschappen

Chemische identificatoren

SMILES: CCOC(=O)C

Gegevensbronnen: Reid, Prausnitz, Poling 4th ed. (1987) (ISBN 9780070517998)

Laatst bijgewerkt: niet bevestigd

📐 Fysisch-chemische eigenschappen (database) 22 velden MolGod-score: Primair

Eigenschap	Waarde	Eenheid	Conditions	Source
Smeltpunt	-83.6 ^[1]^[2]	°C	1 atm	Reid, Prausnitz, Poling 4th ed. (1987)
Kookpunt	77.1 ^[1]^[2]	°C	760 mmHg	Reid, Prausnitz, Poling 4th ed. (1987)
Wateroplosbaarheid	80 ^[1]	g/L	25°C	Reid, Prausnitz, Poling 4th ed. (1987)
Dichtheid (ρ)	0.9003 ^[1]	g/cm³	20°C	Reid, Prausnitz, Poling 4th ed. (1987)
Brekingsindex (n_D)	1.3724	—	20°C, sodium D	Reid, Prausnitz, Poling 4th ed. (1987)
Viscositeit (η)	0.423	cP	25°C	Reid, Prausnitz, Poling 4th ed. (1987)
Dampdruk	93.2	mmHg	25°C	Reid, Prausnitz, Poling 4th ed. (1987)
Vlampunt	-3 ^[1]	°C	closed cup	No primary source
Zelfontbrandingstemperatuur	426	°C	in air	No primary source
logP (octanol/water)	0.73 ^[3]	—		No primary source
logD (pH 7)	0.73	—	pH 7	Reid, Prausnitz, Poling 4th ed. (1987)
Diëlektrische constante (ε)	6.02	—		Reid, Prausnitz, Poling 4th ed. (1987)
Oppervlaktespanning	23.75	mN/m		Reid, Prausnitz, Poling 4th ed. (1987)
Soortelijke warmte (cp)	1.94	J/(g·K)		Reid, Prausnitz, Poling 4th ed. (1987)
Thermische geleidbaarheid (k)	0.141	W/(m·K)		Reid, Prausnitz, Poling 4th ed. (1987)
Dipoolmoment (μ)	1.78	D		Reid, Prausnitz, Poling 4th ed. (1987)
ΔH verdamping	31.94	kJ/mol		Reid, Prausnitz, Poling 4th ed. (1987)
ΔH smelten	10.5	kJ/mol	at mp	Reid, Prausnitz, Poling 4th ed. (1987)
Kritische temperatuur (Tc)	250.1	°C	critical point	Reid, Prausnitz, Poling 4th ed. (1987)
Kritische druk (Pc)	38.3	bar	critical point	Reid, Prausnitz, Poling 4th ed. (1987)
Acentrische factor (ω)	0.362	—	Pitzer	Reid, Prausnitz, Poling 4th ed. (1987)
Oplosbaarheid in ethanol	miscible	—	qualitative description (no numerical value)	Reid, Prausnitz, Poling 4th ed. (1987)

📚 Wetenschappelijke referenties (Chicago Author-Date) (3 bronnen)

DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ dotyczy: Smeltpunt · Kookpunt · Wateroplosbaarheid · Dichtheid (ρ) · Vlampunt
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Smeltpunt · Kookpunt
Sangster, J. "Octanol-Water Partition Coefficients of Simple Organic Compounds." Journal of Physical and Chemical Reference Data 18, no. 3 (1989): 1111-1229. ↗ dotyczy: logP (octanol/water)

De fysisch-chemische waarden zijn afkomstig van de onafhankelijke, peer-reviewed bronnen die hierboven zijn vermeld.

Chemisch overzicht: Ethyl AcetateMolGod_OVERVIEW_1

Molecuulformule	C₄H₈O₂^[1]
Molecuulmassa	88.11 g/mol^[1]
Smeltpunt	-83.6 °C^[2]^[3]
Kookpunt	77.1 °C (760 mmHg)^[2]^[3]
Dichtheid	0.9003 g/cm³^[2]
LogP (lipofiliteit)	0.73^[1]
IUPAC-naam	ethyl acetate^[1]
SMILES	`CCOC(=O)C`^[1]
InChIKey	`XEKOWRVHYACXOJ-UHFFFAOYSA-N`^[1]

Synoniemen: ETHYL ACETATE · 141-78-6 · Ethyl ethanoate · Acetic acid ethyl ester · Vinegar naphtha

Gegevensbronnen: PubChem (NLM/NIH), Reid, Prausnitz, Poling 4th ed. (1987)
Laatst bijgewerkt: 2026-09-21

📚 Wetenschappelijke referenties (Chicago Author-Date) (3 bronnen)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Molecuulformule · Molecuulmassa · LogP (lipofiliteit) · IUPAC-naam · SMILES · InChIKey
DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ dotyczy: Smeltpunt · Kookpunt · Dichtheid
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Smeltpunt · Kookpunt

WETENSCHAPPELIJK ONDERZOEK

[1]PubMed2026

Ethyl acetate fraction from Dendrobium officinale inhibits IL-17A signaling pathway to mitigate acute lung injury.

Zhu W, Chen R, Wu L et al.. (2026). "Ethyl acetate fraction from Dendrobium officinale inhibits IL-17A signaling pathway to mitigate acute lung injury.". Journal of ethnopharmacology. https://doi.org/

[2]PubMed2026

Ethyl acetate fraction of Chaidangbo prescription (EAFC) improves hippocampal neural plasticity in CUMS mice: involving glucocorticoid receptors and…

Zeng J, Tang Y, Zhao A et al.. (2026). "Ethyl acetate fraction of Chaidangbo prescription (EAFC) improves hippocampal neural plasticity in CUMS mice: involving glucocorticoid receptors and Akt-related

[3]Europe PMC2026

The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses.

et al.. (2026). "The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses.". https://doi.org/10.3390/molecules31111806

[4]Europe PMC2026

Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis.

et al.. (2026). "Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis.". https://doi.org/10

[5]Europe PMC2026

2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.

(2026). "2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.". https://doi.org/10.34865/mb280730e11_1ad

[6]Europe PMC2026

A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation.

(2026). "A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation.". https://doi.org/10.3390/ph19050714

[7]Europe PMC2026

Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications.

et al.. (2026). "Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications.". https://doi.org/10.1021/acsomega.5c10953

[8]Europe PMC2026

A non-conventional biodiesel process route from waste palm fatty acid distillate and ethyl acetate via esterification.

et al.. (2026). "A non-conventional biodiesel process route from waste palm fatty acid distillate and ethyl acetate via esterification.". https://doi.org/10.1038/s41598-026-41785-9

📚 Wetenschappelijke referenties (Chicago Author-Date) 23 refs · 2 baz

MOLECULE Bibliografie per CAS (live uit 13+ databases)

Bronnen: db:pubmed (10) · db:Europe PMC (14)

db:pubmed Zhu W, Chen R, Wu L et al.. (2026). "Ethyl acetate fraction from Dendrobium officinale inhibits IL-17A signaling pathway to mitigate acute lung injury.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2026.121176 →
db:pubmed Zeng J, Tang Y, Zhao A et al.. (2026). "Ethyl acetate fraction of Chaidangbo prescription (EAFC) improves hippocampal neural plasticity in CUMS mice: involving glucocorticoid receptors and Akt-related signaling pathway.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2026.158411 →
db:Europe PMC et al.. (2026). "The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses.". https://doi.org/10.3390/molecules31111806 →
db:Europe PMC et al.. (2026). "Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis.". https://doi.org/10.3389/fphar.2026.1771512 →
db:Europe PMC (2026). "2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.". https://doi.org/10.34865/mb280730e11_1ad →
db:Europe PMC (2026). "A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation.". https://doi.org/10.3390/ph19050714 →
db:Europe PMC et al.. (2026). "Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications.". https://doi.org/10.1021/acsomega.5c10953 →
db:Europe PMC et al.. (2026). "A non-conventional biodiesel process route from waste palm fatty acid distillate and ethyl acetate via esterification.". https://doi.org/10.1038/s41598-026-41785-9 →
db:Europe PMC et al.. (2026). "In Vitro and In Silico Investigations of Antifungal Activity of Ethyl Acetate Extracts of Various Species of Swertia Against Aspergillus fumigatus.". https://doi.org/10.1002/cbdv.71468 →
db:Europe PMC et al.. (2026). "Antibacterial and toxicological evaluation of (E)-2-((3,7-dimethylocta-2,6-dien-1-yl)oxy)ethyl acetate.". https://doi.org/10.1590/1519-6984.302367 →
db:Europe PMC et al.. (2026). "Fluorination Site and Degree Regulate the Decomposition of Fluorinated Ethyl Acetate Solvents on Lithium Metal: A First-Principles Molecular Dynamics Study.". https://doi.org/10.3390/nano16130810 →
db:Europe PMC et al.. (2026). "Ethyl acetate extract of Elephantopus mollis Kunth. induced apoptosis, senescence, and inhibited metastasis-associated traits of human lung cancer cells.". https://doi.org/10.4103/rps.rps_115_25 →
db:pubmed Yu Q, Shao P, Liu X et al.. (2025). "Ethyl acetate extract of Sargentodoxa cuneata and Patrinia villosa alleviates pelvic inflammation by shifting macrophages polarization.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2025.157345 →
db:pubmed Liu Y, Yu T, Liu M et al.. (2025). "Artemisia argyi ethyl acetate fraction suppresses ovarian cancer progression via JUN/MAPK10 signaling: An integrated multi-omics investigation.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2025.157533 →
db:pubmed Zhao M, Zeng L, Zhou Y et al.. (2025). "Ethyl Acetate Fraction of Zanthoxylum bungeanum Ameliorates Cognitive Deficit by Facilitating the PHGDH-Dependent Astrocyte-Neuron Serine Shuttle in Aging Mice.". Journal of agricultural and food chemistry. https://doi.org/10.1021/acs.jafc.4c12077 →
db:pubmed Liu MJ, Xu ZP, Guan YQ et al.. (2025). "Ethyl acetate fraction of Thesium chinense Turcz. alleviates chronic obstructive pulmonary disease through inhibition of ferroptosis mediated by activating Nrf2/SLC7A11/GPX4 axis.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2024.118776 →
db:pubmed Suryaningtyas IT, Jung WK, Lee SJ et al.. (2025). "Salicornia europaea L. Ethyl Acetate Fraction Induces Adipocyte Browning and Exhibits Anti-Obesity Effect in 3T3-L1 Preadipocytes.". Chemistry & biodiversity. https://doi.org/10.1002/cbdv.202501190 →
db:Europe PMC et al.. (2025). "Direct Conversion of Ethanol to Ethyl Acetate by Dynamic Polyoxometalate/Carbon Nanohorn Electrocatalytic Interfaces.". https://doi.org/10.1021/jacs.5c10817 →
db:Europe PMC et al.. (2025). "Toxicity Profile of Plectranthus glandulosus Hook. F. (Lamiaceae) Aqueous Extract, Hydro-Ethanolic Extract, and Ethyl Acetate Fraction.". https://doi.org/10.1155/bri/7453400 →
db:Europe PMC et al.. (2025). "Exploring a Water-Ethyl Acetate System for the Efficient Synthesis of 4-Aryl Quinolines.". https://doi.org/10.1002/open.202400470 →
db:Europe PMC et al.. (2025). "Mycochemistry, antioxidant activity and anticancer potentiality of ethyl acetate extract of Daldinia eschscholtzii against A549 lung cancer cell line.". https://doi.org/10.1038/s41598-025-22756-y →
db:pubmed Zhang S, Hou B, Xu A et al.. (2024). "Ganlu formula ethyl acetate extract (GLEE) blocked the development of experimental arthritis by inhibiting NLRP3 activation and reducing M1 type macrophage polarization.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2024.118377 →
db:pubmed Williams ES, Ryder VE. (2023). "Spaceflight Maximum Allowable Concentrations for Ethyl Acetate.". Aerospace medicine and human performance. https://doi.org/10.3357/AMHP.6057.2023 →

Regelgevingsstatus van de stof

Deze stof is onderworpen aan reglementaire vereisten: beheer van gevaarlijke afvalstoffen (BDO-register). Details in de sectie "Regelgevingsstatus (REACH/ECHA/CLP)" en op de SDS. Regelgevingsinformatie — beperkt de aankoop in deze winkel niet.

🧮 StoichiometrierekenmachineMolGod_STOICH_1

🧪 Chemische gegevensMolGod_CHEMDATA_1

CAS-nummer: 141-78-6
Molecuulformule: C4H8O2
Molaire massa: 88.11 g/mol
IUPAC-naam (EN): ethyl acetate
SMILES: CCOC(=O)C
InChIKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N

📚 Scientific literature (16 articles)MolGod_LITSCI_1

🔓

Direct Conversion of Ethanol to Ethyl Acetate by Dynamic Polyoxometalate/Carbon Nanohorn Electrocatalytic Interfaces. 3 citations

et al. · (2025)

DOI ↗PubMed ↗PDF ↗

🔒

Solubility determination and thermodynamic models for dehydroepiandrosterone acetate in mixed solvents of (ethyl acetate + methanol), (ethyl acetate + ethanol) and (ethyl acetate + isopropanol) 104 citations

Chao Cheng, Yang Cong, Cunbin Du et al. · (2016) · The Journal of Chemical Thermodynamics

DOI ↗

🔓

Application of HPLC Fingerprint Coupled with Chemical Pattern Recognition and Multicomponent Quantification for Quality Evaluation of Ethyl Acetate Extract of Banana Leaves.

et al. · (2026)

DOI ↗PubMed ↗PDF ↗

🔓

Phytochemical Characterization and Cytotoxic Potential of the Ethyl Acetate Fraction of Schima superba Bark: An In Vitro and In Silico Investigation.

et al. · (2026)

DOI ↗PubMed ↗PDF ↗

🔓

2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.

(2026)

DOI ↗PubMed ↗PDF ↗

Filteren:

Sorteren:

📈 Publicatietijdlijn

2016

2025

2026

See all 16 articles →

📡 Data sourcesMolGod_SOURCES_1

The data in this widget comes from the following verified scientific sources:

PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical propertiesMolGod_PHYSTAB_2

Temp. wrzenia: 77.1
Temp. topnienia: -83.2
Density: 0.9

Source: PubChem, NIST WebBook. Last updated: date not confirmed

🔍 Externe identificatorenMolGod_EXTID_1

13 van 16 ID-systemen81%

Database	Identificator	Acties
CAS Registry Number	141-78-6	Openen →
PubChem CID	8857^[1]	Openen →
InChIKey	XEKOWRVHYACXOJ-UHFFFAOYSA-N^[1]	Openen →
InChI	InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3^[1]
SMILES	CCOC(=O)C^[1]
EC Number	205-500-4^[2]	Openen →
ChEMBL	CHEMBL14152^[3]	Openen →
KEGG Compound	D02319	Openen →
HMDB	HMDB0031217	Openen →
ChemSpider	8525^[4]	Openen →
UNII (FDA)	76845O8NMZ	Openen →
NSC Number (NCI)	70930	Openen →
WikiData QID	Q407153	Openen →

Bronnen: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Wetenschappelijke referenties (Chicago Author-Date) (4 bronnen)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ dotyczy: ChemSpider

Dalsza literatura

Publications thematically related to this CAS. They are not the source of any value given on this card.

Bibliografie (uitgebreid) (5)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11. link [geraadpleegd: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-05. link [geraadpleegd: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11r19. link [geraadpleegd: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-95r00. link [geraadpleegd: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614. link [geraadpleegd: 2026-09-23] CC0 (metadata)

📡 Spectroscopie — CAS 141-78-6MolGod_SPECHUB_MAIN

📊 Databases met spectroscopische spectra — inline-gegevens 9 bronnen MolGod_SPECDB_2

Spectra worden op aanvraag opgehaald uit 9 bronnen. Elk spectrum wordt opgeslagen in onze database — de volgende keer openen = geen enkele aanvraag naar de externe API. Download JCAMP-DX / CSV / PNG bij elk spectrum zonder te zoeken.

IR IR (Infrared) — NIST WebBook

Public domain (US Federal)

▶ Klik om het spectrum te laden

🔗 Bron

— punten

📚 NIST Chemistry WebBook, SRD 69

MS (NIST) Mass Spectrum (EI) — NIST WebBook

Public domain (US Federal)

▶ Klik om het spectrum te laden

🔗 Bron

— punten

📚 NIST Standard Reference Database 1A

UV-Vis UV/Visible Absorption — NIST WebBook

Public domain (US Federal)

▶ Klik om het spectrum te laden

🔗 Bron

— punten

📚 NIST Chemistry WebBook, SRD 69

¹H NMR NMR (¹H, ¹³C) — NMRShiftDB

CC-BY-SA 4.0

▶ Klik om het spectrum te laden

🔗 Bron

— punten

📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g

MS (MoNA) MoNA — MassBank of North America

CC-BY 4.0

▶ Klik om het spectrum te laden

🔗 Bron

— punten

📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777

IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)

Free for non-commercial

Referentiebron — geen openbare API. Openen in een externe database:

🔗 IR/NMR/MS (SDBS) →

📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)

JP Monograph Japanese Pharmacopoeia — Monographs

Reference only

Referentiebron — geen openbare API. Openen in een externe database:

🔗 JP Monograph →

📚 Japanese Pharmacopoeia 18th Edition (2021)

WHO INN WHO — International Nonproprietary Names

WHO Model Lists (free)

Referentiebron — geen openbare API. Openen in een externe database:

🔗 WHO INN →

📚 WHO INN Programme

DOAJ DOAJ — Directory of Open Access Journals

OA journal index (mixed)

Referentiebron — geen openbare API. Openen in een externe database:

🔗 DOAJ →

📚 DOAJ — doaj.org

🔬 Interactieve spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Gegevens worden live opgehaald uit meerdere bronnen (priority-chain). JCAMP-DX / CSV / PNG beschikbaar om te downloaden onder elk spectrum.

IR — Fourier-transform infrarood

IR — Fourier-transform infrarood wordt geladen…

MS — massaspectrometrie (EI 70eV)

MS — massaspectrometrie (EI 70eV) wordt geladen…

δ (ppm)	Multipliciteit	Integratie	J (Hz)	Toewijzing
4.12	q	2	7.1	OCH2
2.05	s	3	—	OAc-CH3
1.26	t	3	7.1	CH3 (ethyl)

δ (ppm)	Multipliciteit	Integratie	J (Hz)	Toewijzing
171.40	s	—	—	C=O
60.50	s	—	—	OCH2
21.00	s	—	—	OAc-CH3
14.20	s	—	—	CH3 (ethyl)

Structurele eigenschappenMolGod_STRUCT3D_1

Structurele gegevens worden geladen...

❓ Veelgestelde vragen (3)MolGod_FAQ_1

What is 141-78-6?

141-78-6 (CAS 141-78-6) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

Nuttig?

What is the CAS number of 141-78-6?

The CAS number for 141-78-6 is 141-78-6. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

Nuttig?

How should 141-78-6 be stored?

141-78-6 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.

Nuttig?

➕ Stel een vraag voor

Structuurbestanden downloadenMolGod_STRDL_1

Moleculaire structuurbestanden uit de PubChem-database (NIH). Compatibel met programma's: Avogadro, PyMOL, Jmol, ChemDraw.

📄 .SDF 📄 .MOL 📈 3D JSON 🌐 Meer formaten (PubChem)

Bron: PubChem, National Library of Medicine (NIH). CID: 8857

🔄 Omrekenaar voor concentratie-eenheden LIVE MolGod_UNITCONV_1

Voer de concentratie Ethyl Acetate in een willekeurige eenheid in — de rest wordt automatisch berekend.

MW: 88.11 g/mol · IUPAC Gold Book ↗

⚗️ Conversieformules + citaten (per formule)

Conversie	Formule	Nauwkeurigheid	Bron
% (w/v) ↔ molarity	c (mol/L) = (% × 10) / MW	±0.5% rel. when density ≈ 1.0 g/mL	IUPAC (2019)
millimolar ↔ molar	c (mol/L) = mM × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)	c = n/V = (m/MW)/V	±0.1% (depends on MW precision)	IUPAC (2019)
parts per million (mg/L) ↔ molarity	c (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous	±1% (density-independent for dilute solutions)	IUPAC (2019)
mg/mL ↔ molarity	c (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1	±0.2%	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarity	c (mol/L) = (g/L) / MW	±0.1% (depends on MW precision)	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarity	c (mol/L) = mmol/L × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ Kelvin	T(K) = t(°C) + 273.15	±0.01 K (ITS-90 scale)	BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit	T(°F) = T(°C) × 9/5 + 32	±0.1 °F	Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity	c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL	±0.1% when ρ known to 3 decimals	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)

📚 Bibliografie (8 gezaghebbende bronnen)

Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
→ Primary SI standard for US scientific usage
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
→ Canonical IUPAC guide for chemistry quantities/units
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
→ International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
→ General rules for physical quantities and units
ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
→ Concentration / molality / amount-of-substance conventions
Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
→ Avogadro, gas constant, molar volume (2019 SI revision)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
→ Definitions of mass fraction, molality, normality, ppm, activity
Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
→ Historical predecessor of IUPAC Green Book

Vergelijkbare moleculaire structurenMolGod_SIMSTR_1

Vergelijkbare structuren worden geladen...

🧪 Wizard voor het bereiden van oplossingen WIZARD MolGod_PREP_1

① Selecteer concentratie

② Doelvolume

③ Oplosmiddel

Berekeningen volgens: IUPAC Gold Book ↗, Merck ↗

Computationele chemieMolGod_COMPCHEM_1

Computationele gegevens worden geladen...

🛡️ Veiligheid — CAS 141-78-6MolGod_SAFEHUB_MAIN

Mededeling over gegevensbeperkingen. De veiligheidsinformatie op deze pagina is uitsluitend ter informatie en vervangt geen volledig veiligheidsinformatieblad (SDS). Raadpleeg vóór gebruik van het product het actuele veiligheidsinformatieblad van de fabrikant en de GHS/CLP-richtlijnen. De CLP-indeling geldt voor de zuivere bulkstof, niet voor commerciële formuleringen.

GHS/CLP-indeling — Verordening (EG) nr. 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Gevaar (Danger)

GHS02 Ontvlambaar

GHS07 Irriterend / schadelijk

🚨 Gevarenaanduidingen (H)

H225 — Licht ontvlambare vloeistof en damp.
H336 — Kan slaperigheid of duizeligheid veroorzaken.
H319 — Veroorzaakt ernstige oogirritatie.
EUH066

🛡 Voorzorgsmaatregelen (P)

P210 — Verwijderd houden van warmte, hete oppervlakken, vonken, open vuur en andere ontstekingsbronnen. Niet roken.

✓ Geharmoniseerde indeling overeenkomstig bijlage VI bij de CLP-verordening (EG) 1272/2008 (officiële, bindende indeling). Indexnummer: 607-022-00-5.

Referentie (Chicago): European Chemicals Agency. "ethyl acetate, Index No. 607-022-00-5." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Vertalingen: CLP-verordening (EG) 1272/2008, Bijlage III en IV. Gegevens: PubChem/NLM.

♻️ Verwijdering van chemisch afval Ontvlambaar

📋 EWC-code (Europese Afvalcatalogus):
16 05 06* Laboratorium- en analysechemicaliën (reagentia) die gevaarlijke stoffen bevatten

Een code met een asterisk (*) = gevaarlijk afval dat BDO-registratie + een transportprotocol (Afvaloverdrachtskaart) vereist.

🌍 Gevaar voor het milieu: NEE

💧 Risico op waterverontreiniging: JA

🌱 Risico op bodemverontreiniging: NEE

🚫 NIET in de riolering: JA

⚠️ Large spill — HAZMAT response: JA

📚 Wetenschappelijke referenties (Chicago Author-Date)

European Commission. 2014. Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC. Official Journal of the European Union. Decyzja 2014/955/UE. [link ↗] — European List of Waste (LoW) — 6-cijferige EWC-codes + asterisk voor gevaarlijk
Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów. Dziennik Ustaw RP 2020 poz. 10. [link ↗] — Poolse afvalcatalogus — uitvoering van Besluit 2014/955/EU
Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych. Ministerstwo Klimatu i Środowiska. [link ↗] — Centraal BDO-register — volledige lijst van bedrijven met vergunning voor afvalbeheer
Poland — Sejm of the Republic of Poland. 2012. Act of 14 December 2012 on waste. Journal of Laws (Dz.U.) 2013 item 21 (as amended). [link ↗] — Nationale wet — definieert de verplichtingen van de afvalproducent + BDO-registratie
Furr, A. Keith, ed.. 2000. CRC Handbook of Laboratory Safety. CRC Press. — Classificatie van laboratoriumafval + scheidingsprocedures (hoofdstuk Waste Management); EN 374:2013 handschoennormen voor personen die gevaarlijk afval hanteren.
Pohanish, Richard P.. 2017. Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. Elsevier. — Afvalclassificatie per CAS + onverenigbaarheden — invoer voor de EWC-mapping.
Lewis, Richard J.. 2012. Sax's Dangerous Properties of Industrial Materials. Wiley. — Reactiviteit + opslagcompatibiliteit van afval (oxidatoren vs brandbare stoffen — gescheiden stromen).
NIOSH. 2024. Pocket Guide to Chemical Hazards. U.S. Department of Health and Human Services. [link ↗] — PEL/REL/IDLH per CAS — basis voor de vereiste PBM bij afvaltransport (KPO).
OSHA. 2024. Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER). Occupational Safety and Health Administration. [link ↗] — 29 CFR 1910.120 — trainingen + PBM voor de omgang met gevaarlijk afval.
European Parliament and Council. 2008. Directive 2008/98/EC on waste (Waste Framework Directive). Official Journal of the European Union L 312/3. [link ↗] — Afvalbeheerhiërarchie (preventie → nuttige toepassing → verwijdering); definieert "gevaarlijk afval".
European Parliament and Council. 2009. Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures. Official Journal of the European Union L 353. [link ↗] — CLP-classificatie van H-zinnen → mapping naar EWC * (asterisk = gevaarlijk).
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025). UNECE. [link ↗] — ADR — eisen voor het transport van gevaarlijk afval (KPO + UN-nummer + klassen 1–9).
IPCS INCHEM. 2024. International Programme on Chemical Safety — Waste Management Guidelines. WHO/UNEP/ILO. [link ↗] — Internationale richtlijnen voor neutralisatie + verwijdering per CAS.
European Parliament and Council. 2006. Regulation (EC) No 1013/2006 on Shipments of Waste. Official Journal of the European Union L 190: 1–98. [link ↗] — Grensoverschrijdende overbrenging van gevaarlijk afval — kennisgevings- + toestemmingseisen vóór export

📋 Regelgevingsconformiteit (compliance-checklist) Ontvlambaar 2 vereist 7 items

ℹ️ Checklist van regelgevende verplichtingen voor CAS 141-78-6. Status gebaseerd op: ADR 2025 (Tabel A), REACH Bijlage XVII, CLP Bijlage VI (geharmoniseerde indeling), hazard class uit m14-spill DB, SVHC, GIS en MAC PL. Principe: geen gegevens = geen bewering (wij verklaren NIET 'geen beperkingen' zonder basis).

▣ SDS (veiligheidsinformatieblad) beschikbaar vereist

Hoe te voldoen: Vereiste: actueel SDS conform Verord. 1907/2006 (REACH) bijlage II, formaat met 16 rubrieken.

Rechtsgrondslag: Regulation (EC) 1907/2006 (REACH) Art. 31 + Annex II
📎 Bron / formulier ↗
▣ Conform CLP-etiket (pictogrammen + signaalwoord + H/P) vereist

Hoe te voldoen: Het etiket moet bevatten: GHS-pictogrammen, het signaalwoord (Gevaar/Waarschuwing), gevarenaanduidingen (H) en voorzorgsmaatregelen (P), gegevens van de fabrikant. Verplicht sinds 2010 (stoffen) en 2015 (mengsels). Voor deze stof geldt een GEHARMONISEERDE INDELING (CLP bijlage VI) — zie hieronder; deze heeft voorrang op zelfindeling.

Rechtsgrondslag: Regulation (EC) 1272/2008 (CLP) Art. 17-33 + Annex VI (harmonised classification)

Geharmoniseerde indeling (CLP bijlage VI): Flam. Liq. 2, STOT SE 3, Eye Irrit. 2 — H225, H336, H319, EUH066 · Index 607-022-00-5
📎 Bron / formulier ↗
❓ ADR-transport (internationale overeenkomst) te verifiëren

Hoe te voldoen: Geen ADR-gegevens in de MOL-GOD-dataset voor dit CAS-nummer. Ga er NIET van uit dat er geen beperkingen zijn — verifieer vóór verzending de vervoersindeling in ADR 2025 (Tabel A) en in rubriek 14 van het veiligheidsinformatieblad (SDS).

Rechtsgrondslag: European Agreement ADR 2025 + Act of 19 August 2011 on the transport of dangerous goods
📎 Bron / formulier ↗
🔵 REACH-registratie (>1 t/jaar EU-import) voorwaardelijk

Hoe te voldoen: Importeurs/fabrikanten van ≥1 ton/jaar moeten de stof bij ECHA registreren (technisch dossier + Chemical Safety Report bij ≥10 t). Raadpleeg de ECHA Annex VI / registered substances list.

Rechtsgrondslag: Regulation (EC) 1907/2006 (REACH) Art. 5-22
📎 Bron / formulier ↗
❓ SVHC-kennisgeving (zeer zorgwekkende stoffen) te verifiëren

Hoe te voldoen: SVHC-status niet geverifieerd in de beschikbare dataset — raadpleeg de actuele ECHA-kandidaatlijst; ga niet uit van het ontbreken van een vermelding.

Rechtsgrondslag: REACH Art. 7(2) + 33 — SVHC notification + communication
📎 Bron / formulier ↗
❓ REACH Bijlage XIV (autorisatielijst) te verifiëren

Hoe te voldoen: Niet geverifieerd aan de hand van de ECHA-autorisatielijst — controleer REACH Bijlage XIV.

Rechtsgrondslag: Regulation (EC) 1907/2006 (REACH) Annex XIV — authorisation
📎 Bron / formulier ↗
⚪ REACH Bijlage XVII (beperkingen voor gebruik/marketing) niet van toepassing

Hoe te voldoen: Zweryfikowano wobec klasyfikacji zharmonizowanej (CLP Załącznik VI): substancja NIE ma klasyfikacji CMR kat. 1A/1B, więc NIE podlega ogólnemu zakazowi sprzedaży ogółowi społeczeństwa z poz. 28–30 Załącznika XVII. UWAGA: szczegółowe (nie-CMR) pozycje Załącznika XVII nie są objęte zbiorem MOL-GOD (zbiór niepełny) — przy wątpliwości sprawdź skonsolidowany Załącznik XVII na stronach ECHA.

Rechtsgrondslag: Regulation (EC) 1907/2006 (REACH) Annex XVII — restrictions on manufacture/placing on the market/use
📎 Bron / formulier ↗

📚 Wetenschappelijke referenties (Chicago Author-Date)

European Parliament and Council. 2008. Regulation (EC) No 1272/2008 on classification, labelling and packaging of substances and mixtures (CLP). Official Journal of the European Union L 353/1. CLP Regulation 1272/2008. [link ↗] — Indeling, etikettering en verpakking van stoffen + mengsels (GHS-implementatie in de EU)
European Parliament and Council. 2006. Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). Official Journal of the European Union L 396/1. REACH Regulation 1907/2006. [link ↗] — REACH — registratie, beoordeling en autorisatie van chemische stoffen; SVHC; SDS bijlage II
Ministerstwo Rodziny i Polityki Społecznej Rzeczypospolitej Polskiej. 2024. Rozporządzenie Ministra Rodziny i Polityki Społecznej z dnia 4 września 2024 r. w sprawie najwyższych dopuszczalnych stężeń i natężeń czynników szkodliwych dla zdrowia w środowisku pracy. Dziennik Ustaw RP 2024 poz. 1017. [link ↗] — MAC en MACpiek voor ~600 chemische stoffen — actuele Poolse beroepsblootstellingslimieten
United Nations Economic Commission for Europe (UNECE). 2025. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR), 2025 Edition. United Nations, Geneva. ADR 2025. [link ↗] — Internationale overeenkomst inzake het wegvervoer van gevaarlijke goederen — UN-nummers, klassen, verpakkingen

📚 Geconsolideerde wetenschappelijke referenties — Chicago Author-Date 10 bronnen

Referenties verzameld uit alle tabbladen van de Safety Hub. CAS: 141-78-6 · PubChem ↗

Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regelgeving
United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Tabbladen met eigen referenties (Emergency, PPE, Storage, Waste) bevatten aanvullende bibliografische vermeldingen binnen hun respectieve secties.

📈 Analytische statistiek (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Plak een reeks herhaalde metingen (CSV of één getal per regel). De calculator berekent het gemiddelde, de standaardafwijking en 95% CI, en detecteert uitschieters (Grubbs + Dixon Q).

Meetresultaten:

Scheidingsteken: komma, spatie, tab, nieuwe regel. Minimaal 3 metingen.

📐 Statistische formules

x̄ = Σxᵢ / n — rekenkundig gemiddelde
s² = Σ(xᵢ - x̄)² / (n-1) — steekproefvariantie
s = √s² — standaardafwijking
RSD% = (s / x̄) × 100% — relatieve standaardafwijking
CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
G = |xᵢ - x̄| / s — Grubbs-test
Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Bron: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Bufferrecept-calculator UNIEK

Kies een buffer uit de lijst van 20 populaire systemen → voer de streef-pH in → ontvang een exact recept met de af te wegen massa's.

Stap 1: Kies een buffersysteem

📜 Receptgeschiedenis (laatste 10)

📅 Project Planner — Lab Experiment Manager NIEUW

Plan uw volledige laboratoriumproject: voeg experimenten toe met reagentia, replicaten en duur. U ontvangt een Gantt-diagram, een boodschappenlijst (met links naar de winkel!), een budget met 10% marge en een GHS-risicomatrix.

🧪 Oplosbaarheid en compatibiliteit met oplosmiddelen MolGod_SOLUB_1

Molecuul

Ethyl Acetate

Formule

C4H8O2

logP (XLogP3)

0.70

Massa (g/mol)

88.11

Polariteit

Matig

⚠️ HSP-schatting (literatuur / group contribution). Indicatieve gegevens — vervangen geen experimenteel onderzoek.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 7.5.

Oplosmiddel	Compat.	Ra	GC-MS	HPLC	Toepassingen	Referenties
Water (H₂O)	80 g/L (pomiar)	36.7	✗ Nie	A (aqueous) (RP)	buffercell cultureanalyticalextraction (hydrophilic)	Hansen (2007) ↗NIST ↗CRC ↗IAPWS ↗Reichardt 2011 ↗GESTIS ↗
Ethanol (EtOH)	− Slecht	12.7	✗ Nie	A/B modifier (RP/NP)	extractionspectroscopy (UV-Vis)synthesisHPLC modifier	Hansen (2007) ↗NIST ↗CRC ↗Snyder & Kirkland ↗Smallwood ↗GESTIS ↗
Methanol (MeOH)	− Slecht	16.7	✗ Nie	A/B (RP) (RP)	HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm	Snyder & Kirkland ↗NIST ↗CRC ↗Snyder & Kirkland ↗GESTIS ↗
Acetone	+ Goed	5.1	✗ Nie	B modifier (NP)	GC headspacecrystallisationdegreasingsynthesis	Reichardt (2011) ↗NIST ↗CRC ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
Acetonitrile (ACN)	− Slecht	12.8	✗ Nie	B (RP) (RP)	HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis	Aguilar, M.I. ↗NIST ↗CRC ↗Snyder & Kirkland ↗Reichardt 2011 ↗GESTIS ↗
DMSO	− Slecht	12.6	✗ Nie	N/A (N/A)	NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis	Wypych, G. ↗NIST ↗Wypych 2019 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
THF	+ Goed	2.2	✗ Nie	B (NP) (NP)	GPC/SEC (polymer analysis)Grignard synthesisorganometallics	Armarego (2009) ↗NIST ↗Armarego 2009 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
DCM (CH₂Cl₂)	+ Goed	5.0	✓ Tak	B (NP) (NP)	extractionNP-HPLCGC-MScrystallisation (anti-solvent)	NIST WebBook ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Chloroform (CHCl₃)	+ Goed	4.8	✓ Tak	N/A (toxic) (N/A)	NMR (CDCl3)lipid extraction (Folch method)NP-TLC	IARC Monographs ↗NIST ↗IARC 73 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Hexane	~ Gem.	9.1	✓ Tak	A (NP) (NP)	NP-HPLCoil extraction (lipids)GC-MSTLC (NP)	Dass, C. (2011) ↗NIST ↗ATSDR n-Hexane ↗Hansen 2007 ↗Snyder & Kirkland ↗GESTIS ↗
Toluene	~ Gem.	7.8	✓ Tak	B (NP) (NP)	NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)	GESTIS DGUV ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗

Bronnen: PubChem (NIH) · Hansen Solubility Database

📚 Wetenschappelijke referenties voor oplosmiddelen (Chicago Author-Date) — klik om uit te vouwen

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

Water (H₂O)

NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
IAPWS — IAPWS Release on Static Dielectric Constant of Water
Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
GESTIS — GESTIS Substance Database — Water

Ethanol (EtOH)

NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
CRC — CRC Handbook — Ethanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
Smallwood — Handbook of Organic Solvent Properties — Ethanol
GESTIS — GESTIS Substance Database — Ethanol

Methanol (MeOH)

NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
CRC — CRC Handbook — Methanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
GESTIS — GESTIS Substance Database — Methanol

Acetone

NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
CRC — CRC Handbook — Acetone physical & thermodynamic constants
Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
Smallwood — Handbook of Organic Solvent Properties — Acetone
GESTIS — GESTIS Substance Database — Acetone

Acetonitrile (ACN)

NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
CRC — CRC Handbook — Acetonitrile constants
Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
GESTIS — GESTIS Substance Database — Acetonitrile

DMSO

NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
GESTIS — GESTIS Substance Database — DMSO

THF

NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
Smallwood — Handbook of Organic Solvent Properties — THF
GESTIS — GESTIS Substance Database — Tetrahydrofuran

DCM (CH₂Cl₂)

NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
GESTIS — GESTIS Substance Database — Dichloromethane

Chloroform (CHCl₃)

NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
GESTIS — GESTIS Substance Database — Chloroform

n-Hexane

NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
GESTIS — GESTIS Substance Database — n-Hexane

Toluene

NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
IARC 71 — IARC Monograph 71 — Toluene
Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
Smallwood — Handbook of Organic Solvent Properties — Toluene
GESTIS — GESTIS Substance Database — Toluene

Oplosbaarheidstheorie (toegepast bij de voorspelling van compatibiliteit):

Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP-triplet (dD, dP, dH) + Ra-formule.
Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Volledige tabellarische set van 250+ oplosmiddelen (ε, μ, doniciteit, acceptorgetallen).
PubChem Compound Database — CAS 141-78-6 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Volledige bibliografie in het accordeon REFERENTIES (onderaan de pagina) — Chicago Manual of Style 17th ed., Author-Date.

🌐 Hansen Solubility Sphere (3D)

Hoe dichter bij het molecuul (rode bol), hoe beter het oplosmiddel. · Geavanceerd: labels + raster + assen + pulsatie.

Uw molecuul

Dobra (Ra < R₀)

Graniczna (Ra < 1,5×R₀)

Poor (Ra ≥ 1.5×R₀)

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 7.5.

📚 Data sources HSP + Ra

Zhu W, Chen R, Wu L et al.. (2026). "Ethyl acetate fraction from Dendrobium officinale inhibits IL-17A signaling pathway to mitigate acute lung injury.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2026.121176 [DOI ↗]
Zeng J, Tang Y, Zhao A et al.. (2026). "Ethyl acetate fraction of Chaidangbo prescription (EAFC) improves hippocampal neural plasticity in CUMS mice: involving glucocorticoid receptors and Akt-related signaling pathway.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2026.158411 [DOI ↗]
et al.. (2026). "The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses.". https://doi.org/10.3390/molecules31111806 [DOI ↗]
et al.. (2026). "Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis.". https://doi.org/10.3389/fphar.2026.1771512 [DOI ↗]
(2026). "2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.". https://doi.org/10.34865/mb280730e11_1ad [DOI ↗]
(2026). "A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation.". https://doi.org/10.3390/ph19050714 [DOI ↗]
et al.. (2026). "Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications.". https://doi.org/10.1021/acsomega.5c10953 [DOI ↗]
et al.. (2026). "A non-conventional biodiesel process route from waste palm fatty acid distillate and ethyl acetate via esterification.". https://doi.org/10.1038/s41598-026-41785-9 [DOI ↗]
Hansen Solubility Database — hansen-solubility.com
PubChem — pubchem.ncbi.nlm.nih.gov

Methode: Group Contribution (GC) — snelle schatting van δD/δP/δH uit logP wanneer er geen experimentele gegevens zijn. Nauwkeurigheid ±2 MPa^½. Voor meer precisie → HSPiP-software.

Hansen Solubility Parameters:

δD: 15.8 MPa^0.5

δP: 5.3 MPa^0.5

δH: 7.2 MPa^0.5

⚗️ Controleer de reactiecompatibiliteit MolGod_RXNCOMP_1

Gezondheid: 1/4

Ontvlambaarheid: 3/4

Reactiviteit: 0/4

Volgens NFPA 704 / berekend uit H-codes

Controleer of Ethyl Acetate compatibel is met een ander reagens

📦 Opslagcompatibiliteitsmatrix

	Zuren	Basen	Oxidatoren	Ontvlambaar	Giftig	Gazy
Zuren	✓	✗	✗	✗	⚠	✗
Basen	✗	✓	⚠	⚠	⚠	⚠
Oxidatoren	✗	⚠	✓	✗	⚠	✗
Ontvlambaar	✗	⚠	✗	✓	⚠	✗
Giftig	⚠	⚠	⚠	⚠	✓	⚠
Gazy	✗	⚠	✗	✗	⚠	✓

✓ Samen te bewaren · ⚠ Voorzichtig · ✗ NIET samen bewaren · OSHA Chemical Segregation ↗

Compatibiliteitsgegevens uit: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laboratoriumcalculators (8) MolGod_LABCALC_1

ppm → mg/L

Temperatuur C↔F↔K

Geverifieerde formules: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopische spectradatabases MolGod_SPECDB_3

¹H NMR NMRShiftDB ↗ IR NIST WebBook ↗ MS MoNA ↗ UV-Vis SDBS Japan ↗ MS (NIST) NIST MS ↗ NMR (SDBS) SDBS NMR ↗ JP Monograph Farmacopea JP ↗ WHO INN WHO Model ↗ DOAJ Open Access ↗

📋 Generator van laboratoriumprotocollen MolGod_PROTOCOL_1

Doelconcentratie

Volume (mL)

Initialen

Protocol gegenereerd op basis van: GHS SDS, Aldrich Lab Guide ↗

🏷️ Etikettengenerator (QR) MolGod_LABEL_1

Concentratie

Bereidingsdatum

Initialen

Deskryptory Lipinskiego (struktura)

Radardiagram van drug-likeness (Lipinski Ro5 / Veber). Groene zone = overeenstemming met de criteria.

Voorspellende gegevens — eigenschappen berekend in silico (SMILES/RDKit). Deze vervangen geen klinische studies. Niet gebruiken voor de beoordeling van geneesmiddelen zonder experimentele verificatie.

✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=88)✗ REOS (MW=88)✓ Lead-like Ro3

Eigenschap	Waarde	Beoordeling
Absorptie (GI)	hoog	✓
BBB-permeabiliteit	ja (dringt door)
Biobeschikbaarheid (Daina 2017)	55%
CYP450-profiel	CYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
PAINS-waarschuwingen	0	✓
Brenk-waarschuwingen	0	✓
pKa (pH 7.4)	7 (heuristic)
hERG (cardiotox.)	✓ nee
P-gp-substraat	—
Ames-mutageniteit	✓ nee
DILI (hepatotox.)	—
LogS (wateroplosb.)	—

Bronnen (ADMET-methodologie)

Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
Zhu W, Chen R, Wu L et al.. (2026). "Ethyl acetate fraction from Dendrobium officinale inhibits IL-17A signaling pathway to mitigate acute lung injury.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2026.121176
Zeng J, Tang Y, Zhao A et al.. (2026). "Ethyl acetate fraction of Chaidangbo prescription (EAFC) improves hippocampal neural plasticity in CUMS mice: involving glucocorticoid receptors and Akt-related signaling pathway.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2026.158411
et al.. (2026). "The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses.". https://doi.org/10.3390/molecules31111806
et al.. (2026). "Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis.". https://doi.org/10.3389/fphar.2026.1771512
(2026). "2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.". https://doi.org/10.34865/mb280730e11_1ad
(2026). "A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation.". https://doi.org/10.3390/ph19050714
et al.. (2026). "Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications.". https://doi.org/10.1021/acsomega.5c10953
et al.. (2026). "A non-conventional biodiesel process route from waste palm fatty acid distillate and ethyl acetate via esterification.". https://doi.org/10.1038/s41598-026-41785-9
et al.. (2026). "In Vitro and In Silico Investigations of Antifungal Activity of Ethyl Acetate Extracts of Various Species of Swertia Against Aspergillus fumigatus.". https://doi.org/10.1002/cbdv.71468
et al.. (2026). "Antibacterial and toxicological evaluation of (E)-2-((3,7-dimethylocta-2,6-dien-1-yl)oxy)ethyl acetate.". https://doi.org/10.1590/1519-6984.302367
et al.. (2026). "Fluorination Site and Degree Regulate the Decomposition of Fluorinated Ethyl Acetate Solvents on Lithium Metal: A First-Principles Molecular Dynamics Study.". https://doi.org/10.3390/nano16130810
et al.. (2026). "Ethyl acetate extract of Elephantopus mollis Kunth. induced apoptosis, senescence, and inhibited metastasis-associated traits of human lung cancer cells.". https://doi.org/10.4103/rps.rps_115_25
Yu Q, Shao P, Liu X et al.. (2025). "Ethyl acetate extract of Sargentodoxa cuneata and Patrinia villosa alleviates pelvic inflammation by shifting macrophages polarization.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2025.157345
Liu Y, Yu T, Liu M et al.. (2025). "Artemisia argyi ethyl acetate fraction suppresses ovarian cancer progression via JUN/MAPK10 signaling: An integrated multi-omics investigation.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2025.157533
Zhao M, Zeng L, Zhou Y et al.. (2025). "Ethyl Acetate Fraction of Zanthoxylum bungeanum Ameliorates Cognitive Deficit by Facilitating the PHGDH-Dependent Astrocyte-Neuron Serine Shuttle in Aging Mice.". Journal of agricultural and food chemistry. https://doi.org/10.1021/acs.jafc.4c12077
Liu MJ, Xu ZP, Guan YQ et al.. (2025). "Ethyl acetate fraction of Thesium chinense Turcz. alleviates chronic obstructive pulmonary disease through inhibition of ferroptosis mediated by activating Nrf2/SLC7A11/GPX4 axis.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2024.118776
Suryaningtyas IT, Jung WK, Lee SJ et al.. (2025). "Salicornia europaea L. Ethyl Acetate Fraction Induces Adipocyte Browning and Exhibits Anti-Obesity Effect in 3T3-L1 Preadipocytes.". Chemistry & biodiversity. https://doi.org/10.1002/cbdv.202501190
et al.. (2025). "Direct Conversion of Ethanol to Ethyl Acetate by Dynamic Polyoxometalate/Carbon Nanohorn Electrocatalytic Interfaces.". https://doi.org/10.1021/jacs.5c10817
et al.. (2025). "Toxicity Profile of Plectranthus glandulosus Hook. F. (Lamiaceae) Aqueous Extract, Hydro-Ethanolic Extract, and Ethyl Acetate Fraction.". https://doi.org/10.1155/bri/7453400
et al.. (2025). "Exploring a Water-Ethyl Acetate System for the Efficient Synthesis of 4-Aryl Quinolines.". https://doi.org/10.1002/open.202400470
et al.. (2025). "Mycochemistry, antioxidant activity and anticancer potentiality of ethyl acetate extract of Daldinia eschscholtzii against A549 lung cancer cell line.". https://doi.org/10.1038/s41598-025-22756-y
Zhang S, Hou B, Xu A et al.. (2024). "Ganlu formula ethyl acetate extract (GLEE) blocked the development of experimental arthritis by inhibiting NLRP3 activation and reducing M1 type macrophage polarization.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2024.118377
Williams ES, Ryder VE. (2023). "Spaceflight Maximum Allowable Concentrations for Ethyl Acetate.". Aerospace medicine and human performance. https://doi.org/10.3357/AMHP.6057.2023
Adinath N. Tavanappanavar, Sikandar I. Mulla, Chandra Shekhar Seth, et al. 2023. "Phytochemical analysis, GC–MS profile and determination of antibacterial, antifungal, anti-inflammatory, antioxidant activities of peel and seeds extracts (chloroform and ethyl acetate) of Tamarindus indica L." Saudi Journal of Biological Sciences. DOI: 10.1016/j.sjbs.2023.103878. PMID: 38125735. [DOI ↗]
Tao Shi, Wei Chun, Ao Yang, et al. 2020. "Optimization and control of energy saving side-stream extractive distillation with heat integration for separating ethyl acetate-ethanol azeotrope." Chemical Engineering Science. DOI: 10.1016/j.ces.2019.115373. [DOI ↗]
et al. 2026. "Application of HPLC Fingerprint Coupled with Chemical Pattern Recognition and Multicomponent Quantification for Quality Evaluation of Ethyl Acetate Extract of Banana Leaves." DOI: 10.3390/molecules31173023. [DOI ↗]
et al. 2026. "Phytochemical Characterization and Cytotoxic Potential of the Ethyl Acetate Fraction of Schima superba Bark: An In Vitro and In Silico Investigation." DOI: 10.3390/molecules31142550. [DOI ↗]
et al. 2026. "The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses." DOI: 10.3390/molecules31111806. [DOI ↗]
Asmae Hbika, N. Daoudi, A. Bouyanzer, et al. 2022. "Artemisia absinthium L. Aqueous and Ethyl Acetate Extracts: Antioxidant Effect and Potential Activity In Vitro and In Vivo against Pancreatic α-Amylase and Intestinal α-Glucosidase." Pharmaceutics. DOI: 10.3390/pharmaceutics14030481. PMID: 35335858. [DOI ↗]
W. Shi, Jie Li, Yan-Fang Chen, et al. 2021. "Metabolic Engineering of Saccharomyces cerevisiae for Ethyl Acetate Biosynthesis." ACS synthetic biology. DOI: 10.1021/acssynbio.0c00446. PMID: 33576609. [DOI ↗]
Rong-Rong Li, Bo Zhao, Xian-Lan Chen, et al. 2021. "Solubility and apparent thermodynamic analysis of pomalidomide in (acetone + ethanol/isopropanol) and (ethyl acetate + ethanol/isopropanol) and its correlation with thermodynamic model." The Journal of Chemical Thermodynamics. DOI: 10.1016/j.jct.2020.106345. [DOI ↗]
Rong-Rong Li, Yan-Xian Jin, Bin-bin Yu, et al. 2021. "Solubility determination and thermodynamic properties calculation of macitentan in mixtures of ethyl acetate and alcohols." The Journal of Chemical Thermodynamics. DOI: 10.1016/j.jct.2020.106344. [DOI ↗]
Chao Cheng, Yang Cong, Cunbin Du et al. 2016. "Solubility determination and thermodynamic models for dehydroepiandrosterone acetate in mixed solvents of (ethyl acetate + methanol), (ethyl acetate + ethanol) and (ethyl acetate + isopropanol)." The Journal of Chemical Thermodynamics. DOI: 10.1016/j.jct.2016.06.014. [DOI ↗]
"Ethyl Acetate." DOI: 10.31003/fcc_f101224_02_01. [DOI ↗]
"Ethyl Acetate." DOI: 10.31003/uspnf_m31860_05_01. [DOI ↗]
"Ethyl Acetate." DOI: 10.31003/uspnf_r1991_01_01. [DOI ↗]
"Specification for ethyl acetate." DOI: 10.3403/30305771. [DOI ↗]
"Specification for ethyl acetate." DOI: 10.3403/30305770. [DOI ↗]
"Specification for ethyl acetate." DOI: 10.3403/00084120. [DOI ↗]
"Specification for ethyl acetate." DOI: 10.3403/30305772. [DOI ↗]
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11. [DOI ↗]
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-05. [DOI ↗]
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614. [DOI ↗]
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-95. [DOI ↗]
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11r19. [DOI ↗]
2026. "A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation." DOI: 10.3390/ph19050714. [DOI ↗]
et al. 2025. "Direct Conversion of Ethanol to Ethyl Acetate by Dynamic Polyoxometalate/Carbon Nanohorn Electrocatalytic Interfaces." DOI: 10.1021/jacs.5c10817. [DOI ↗]
J. C. Dykstra, Jelle van Oort, Ali Tafazzoli Yazdi, et al. 2022. "Metabolic engineering of Clostridium autoethanogenum for ethyl acetate production from CO." Microbial Cell Factories. DOI: 10.1186/s12934-022-01964-5. PMID: 36419165. [DOI ↗]
W. Nurcholis, Deysta Nur Sya'bani Putri, H. Husnawati, et al. 2021. "Total flavonoid content and antioxidant activity of ethanol and ethyl acetate extracts from accessions of Amomum compactum fruits." Annals of Agricultural Sciences. DOI: 10.1016/J.AOAS.2021.04.001. [DOI ↗]
Guang-Yong Zhu, Zuobing Xiao, Guang-Xu Zhu. 2021. "Fabrication and characterization of ethyl acetate-hydroxypropyl-β-cyclodextrin inclusion complex." Journal of food science. DOI: 10.1111/1750-3841.15835. PMID: 34268741. [DOI ↗]
Cai-Hong Qin, Meng-Ke Guo, Chao Jiang, et al. 2021. "Simultaneous oxidation of toluene and ethyl acetate by dielectric barrier discharge combined with Fe, Mn and Mo catalysts." Science of The Total Environment. DOI: 10.1016/J.SCITOTENV.2021.146931. [DOI ↗]
Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
PubMed PMID PubChem. (Metadata fetch failed.) ↗
2026. "2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024." DOI: 10.34865/mb280730e11_1ad. [DOI ↗]
et al. 2026. "Separation of the Lipid Fraction from Cocoa Bean Husks Using Ethyl Acetate as Solvent in Ultrasound-Assisted Process." DOI: 10.3390/foods15132275. [DOI ↗]
et al. 2026. "Hepatoprotective Effects of Ethyl Acetate Extract of Lygodium microphyllum Leaves." DOI: 10.5812/ijpr-171722. [DOI ↗]
et al. 2026. "Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis." DOI: 10.3389/fphar.2026.1771512. [DOI ↗]
et al. 2026. "In Vitro and In Silico Investigations of Antifungal Activity of Ethyl Acetate Extracts of Various Species of Swertia Against Aspergillus fumigatus." DOI: 10.1002/cbdv.71468. [DOI ↗]
et al. 2026. "Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications." DOI: 10.1021/acsomega.5c10953. [DOI ↗]
Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
2017. "Substituted 7-azabicycles and their use as orexin receptor modulators." [ChEMBL bioactivity primary lit]
2016. "Substituted 7-azabicycles and their use as orexin receptor modulators." [ChEMBL bioactivity primary lit]
2015. "Substituted 7-azabicyles and their use as orexin receptor modulators." [ChEMBL bioactivity primary lit]
Olaokun, Oyinlola O., Zubair, Muhammad S.. 2023. "Antidiabetic Activity, Molecular Docking, and ADMET Properties of Compounds Isolated from Bioactive Ethyl Acetate Fraction of Ficus lutea Leaf Extract." Molecules 28 (23): 7717. https://doi.org/10.3390/molecules28237717. [DOI ↗]
Anonymous. "Ethyl Acetate.". https://doi.org/10.31003/fcc_f101224_02_01. [DOI ↗]
Anonymous. "Ethyl Acetate.". https://doi.org/10.31003/uspnf_m31860_05_01. [DOI ↗]
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-95r00. [DOI ↗]
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
Stockdale, A.D., Rostom, A.Y.. 1989. "Clinical Significance of Differences in Bioavailability of Medroxyprogesterone Acetate Preparations." Clinical Pharmacokinetics 16 (3): 129-133. https://doi.org/10.2165/00003088-198916030-00001. [DOI ↗]
Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179. ↗

🧪 Assistent voor bereiding van oplossingen (Smart Prep) MolGod_PREP_2

Voer in wat u wilt bereiden — ik genereer een SOP

Voorbeelden hieronder — klik om in te voegen:

Voorgedefinieerde recepten:

📚 Overzicht van de wetenschappelijke literatuur — CAS 141-78-6MolGod_LITHUB_MAIN

⭐ Belangrijkste bevindingen (wetenschappelijke literatuur) 20 publicaties

🏆 CAS 141-78-6 — multi-criteria ranking (W12): 30% citaties · 20% recentheid · 20% onderwerp · 15% historisch · 15% open access.

#1

Direct Conversion of Ethanol to Ethyl Acetate by Dynamic Polyoxometalate/Carbon Nanohorn Electrocatalytic Interfaces.

et al. (2025) · Journal of the American Chemical Society

Waarom het belangrijk is: Recent (2025) · open access

SCORE 8.86 Mechanisme Citations: 3 Open Access DOI ↗ PubMed ↗
#2

Solubility determination and thermodynamic models for dehydroepiandrosterone acetate in mixed solvents of (ethyl acetate + methanol), (ethyl acetate + ethanol) and (ethyl acetate + isopropanol)

Chao Cheng, Yang Cong, Cunbin Du et al. (2016) · The Journal of Chemical Thermodynamics

Waarom het belangrijk is: 104 citations

SCORE 8.66 Analytiek Citations: 104 DOI ↗
#3

A non-conventional biodiesel process route from waste palm fatty acid distillate and ethyl acetate via esterification.

et al. (2026) · Scientific Reports

Waarom het belangrijk is: Recent (2026) · open access

SCORE 7.85 Industrie Open Access DOI ↗ PubMed ↗
#4

Application of HPLC Fingerprint Coupled with Chemical Pattern Recognition and Multicomponent Quantification for Quality Evaluation of Ethyl Acetate Extract of Banana Leaves.

et al. (2026) · Molecules

Waarom het belangrijk is: Recent (2026) · open access

SCORE 7.05 Analytiek Open Access DOI ↗ PubMed ↗
#5

Phytochemical Characterization and Cytotoxic Potential of the Ethyl Acetate Fraction of Schima superba Bark: An In Vitro and In Silico Investigation.

et al. (2026) · Molecules

Waarom het belangrijk is: Recent (2026) · open access

SCORE 7.05 Mechanisme Open Access DOI ↗ PubMed ↗
#6

Separation of the Lipid Fraction from Cocoa Bean Husks Using Ethyl Acetate as Solvent in Ultrasound-Assisted Process.

et al. (2026) · Foods

Waarom het belangrijk is: Recent (2026) · open access

SCORE 7.05 Industrie Open Access DOI ↗ PubMed ↗
#7

The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses.

et al. (2026) · Molecules

Waarom het belangrijk is: Recent (2026) · open access

SCORE 7.05 Analytiek Open Access DOI ↗ PubMed ↗
#8

Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis.

et al. (2026) · Frontiers in Pharmacology

Waarom het belangrijk is: Recent (2026) · open access

SCORE 7.05 Mechanisme Open Access DOI ↗ PubMed ↗
#9

Antibacterial and toxicological evaluation of (E)-2-((3,7-dimethylocta-2,6-dien-1-yl)oxy)ethyl acetate.

et al. (2026) · Brazilian Journal of Biology

Waarom het belangrijk is: Recent (2026) · open access

SCORE 7.05 Mechanisme Open Access DOI ↗ PubMed ↗
#10

Ethyl acetate extract of Elephantopus mollis Kunth. induced apoptosis, senescence, and inhibited metastasis-associated traits of human lung cancer cells.

et al. (2026) · Research in Pharmaceutical Sciences

Waarom het belangrijk is: Recent (2026) · open access

SCORE 6.25 Farmacologie Open Access DOI ↗ PubMed ↗
#11

2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.

(2026)

Waarom het belangrijk is: Recent (2026) · open access

SCORE 6.25 Mechanisme Open Access DOI ↗ PubMed ↗
#12

Hepatoprotective Effects of Ethyl Acetate Extract of Lygodium microphyllum Leaves.

et al. (2026) · Iranian Journal of Pharmaceutical Research

Waarom het belangrijk is: Recent (2026) · open access

SCORE 6.25 Mechanisme Open Access DOI ↗ PubMed ↗
#13

A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation.

Muhammad Farooq Khan; Mohammad Ahmad Wadaan (2026) · Pharmaceuticals

Waarom het belangrijk is: Recent (2026) · open access

SCORE 6.25 Mechanisme Open Access DOI ↗ PubMed ↗
#14

In Vitro and In Silico Investigations of Antifungal Activity of Ethyl Acetate Extracts of Various Species of Swertia Against Aspergillus fumigatus.

et al. (2026) · Chemistry & Biodiversity

Waarom het belangrijk is: Recent (2026) · open access

SCORE 6.25 Mechanisme Open Access DOI ↗ PubMed ↗
#15

Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications.

et al. (2026) · ACS Omega

Waarom het belangrijk is: Recent (2026) · open access

SCORE 6.25 Mechanisme Open Access DOI ↗ PubMed ↗
#16

Fluorination Site and Degree Regulate the Decomposition of Fluorinated Ethyl Acetate Solvents on Lithium Metal: A First-Principles Molecular Dynamics Study.

et al. (2026) · Nanomaterials

Waarom het belangrijk is: Recent (2026) · open access

SCORE 6.25 Mechanisme Open Access DOI ↗ PubMed ↗
#17

Conformational changes in a Pseudo[1]catenane induced by ethyl acetate and temperature: A combined HPLC and electronic circular dichroism study.

et al. (2026) · Analytica Chimica Acta

Waarom het belangrijk is: Recent (2026)

SCORE 5.6 Analytiek DOI ↗ PubMed ↗
#18

Formulation development and preclinical assessment of ethyl acetate fraction of Saraca asoca (EASA) flowers for cataract management.

et al. (2026) · International Ophthalmology

Waarom het belangrijk is: Recent (2026)

SCORE 4 Farmacologie DOI ↗ PubMed ↗
#19

Ethyl Alcohol-Ethyl Acetate and Acetic Acid–Ethyl Acetate Systems

C. C. Furnas, W. B. Leighton (1937) · Industrial & Engineering Chemistry

Waarom het belangrijk is: Historisch artikel (1937)

SCORE 3.9 Historisch Citations: 19 DOI ↗
#20

Liquid-vapour equilibrium. LIV. The systems ethyl acetate-benzene, ethyl acetate-toluene and ethyl acetate-ethylbenzene

J. Linek, K. Procházka, I. Wichterle (1972) · Collection of Czechoslovak Chemical Communications

Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).

SCORE 3.9 Mechanisme Citations: 19 DOI ↗

Tag	TF	DF	IDF	Score
fraction	11	5	2.253	24.78
leaves	6	3	2.658	15.949
extract	7	5	2.253	15.769
acid	6	5	2.253	13.517
solubility	4	2	2.946	11.784
extraction	4	2	2.946	11.784
potential fraction	3	3	2.658	11.165
solvents	4	3	2.658	10.633
natural	4	4	2.435	9.74
development	4	4	2.435	9.74

🔬 HPLC — methoden en parameters — CAS 141-78-6MolGod_HPLCHUB_MAIN

📈 HPLC-gradiënt — optimalisator (LSS) SJABLOON

Gradiënt gebaseerd op PubChem XLogP3 + LSS (Snyder et al. 2010, hfdst. 9).

Kolom: C18
Buffer: phosphate
Debiet: 1 mL/min
logP: 0.7 (PubChem XLogP3)
Ramp: 11% → 95% B, 10 min
Totale analysetijd: 23 min

t (min)	%A	%B	flow (mL/min)	Opmerking
0	89	11	1	start (evenwicht)
2	89	11	1	einde van de initiële hold
12	5	95	1	einde van de LSS-ramp
17	5	95	1	kolomspoeling
18	89	11	1	terug naar init
23	89	11	1	her-equilibratie

📚 Wetenschappelijke referenties (Chicago Author-Date)

Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.

REST: /wp-json/molgod/v1/hplc/gradient/141-78-6

📐 Kolomafmetingen — van Deemter-calculator N=12,466

Formule: H = A + B/u + C·u (Van Deemter et al. 1956), N = L/H, ΔP ≈ η·L·u / (K_p·dp²) (Knox 1977). u_opt = √(B/C) (Giddings 1965).

Afmetingen	150 × 4.6 mm, 5 µm
Theoretische schotels (N)	12,466
N bij u_opt	12,500
HETP (huidig)	12.032 µm
Min. HETP	12 µm
Lineaire snelheid (u)	0.1003 cm/s
u_opt (van Deemter)	0.12 cm/s
Tegendruk (ΔP)	42.1 bar
Analysetijd (dood volume)	2.49 min

📚 Wetenschappelijke referenties (Chicago Author-Date)

Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289. https://doi.org/10.1016/0009-2509(56)80003-1 — Original van Deemter equation paper — basis of H = A + B/u + C·u in this calculator.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory.". Marcel Dekker. — Theoretical underpinning of HETP minimum and u_opt = sqrt(B/C).
Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." Journal of Chromatography A 778: 3-21. https://doi.org/10.1016/S0021-9673(97)00376-2 — Speed-efficiency Pareto plot — context for sub-2 µm UHPLC scaling.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026 — UHPLC pressure scaling — extends Darcy ΔP formula to sub-2 µm particles.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 — Modern reinterpretation of A, B, C terms (eddy diffusion vs. b-term).
Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364. https://doi.org/10.1093/chromsci/15.9.352 — Reduced plate height equation h = a·v^(1/3) + b/v + c·v.
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793 — Practical N targets vs particle size table (UHPLC method scaling).
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.). — Column dimensioning rules of thumb (L, dp, dc) for given α and N.
Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/141-78-6

🧪 Mobiele fase — compatibiliteitsmatrix MISCIBLE

Component	Naam	UV-cutoff (nm)	P'	Detectoren
Oplosm.	Acetonitrile (MeCN)	190	5.8	UV, MS, ELSD, RID, FLD
Oplosm.	Water	190	10.2	UV, MS, ELSD, RID, FLD
Buffer	Phosphate (KH2PO4 / K2HPO4)	195	pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5	MS ✗

Detector: UV — compatibel met beide oplosmiddelen.

📚 Wetenschappelijke referenties (Chicago Author-Date)

Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." Journal of Chromatographic Science 16: 223-234. https://doi.org/10.1093/chromsci/16.6.223
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." Industrial & Engineering Chemistry Research 37: 4040-4055. https://doi.org/10.1021/ie980212h
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094
Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." Journal of Chromatographic Science 47: 645-654. https://doi.org/10.1093/chromsci/47.8.645
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/mobile-phase?solvent_a=...&solvent_b=...

Volledige HPLC-methodegids Peer-reviewed

Molecuulspecifieke scenario's, probleemoplossing en literatuurverwijzingen

Molecular Predictor

The predicted parameters for this molecule (CAS 141-78-6) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

2.95 min

Range: 2.07 – 3.84

confidence: medium

Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min

UV λ_max

210 nm

confidence: medium

No strong chromophore detected → 210 nm uniwersalne

Concentration

0.5 mg/mL

= 5.675 mM

confidence: high

Safe linear range detektora UV (nie przekroczy 1.5 AU)

Buffer pH

Range: 1.5 – 2.5

confidence: medium

Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)

Injection Volume

20 μL

confidence: medium

Smaller volume for larger molecules (avoiding peak broadening)

⚠️ Predykcje oparte na modelach chemometrycznych — require validation against an actual measurement. Confidence: low/medium/high depending on the available descriptors.

1. Keuze van de mobiele fase Oplosmiddelen, zuiverheidsgraden, inkooplijst

Echt chemicusprobleem

How to prepare the mobile phase for the first time

Protokół mówi "ACN/H₂O 60:40". W szafce masz ACN HPLC grade i wodę z kranu. Nikt ci nie powiedział, że kran = dramat. Koszt błędu: zniszczona kolumna 1800 PLN.

Hoe wij dit oplossen

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

HPLC vs LC-MS vs Far UV — when to use which

Consumption Calculator

Aantal monsters:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Shopping List

One-click add to cart

Interactieve calculator

Aantal monsters:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Deep Education

De chemie van de mobiele fase begrijpen

Why Acetonitrile vs Methanol?

Property	Acetonitrile (ACN)	Methanol (MeOH)
Viscosity (20°C)	0.37 cP	0.59 cP (+59%)
Back Pressure	~150 bar	~210 bar (+40%)
UV Cutoff	190 nm	205 nm
Elution Strength	Stronger	Weaker
Price (typical)	115 PLN/L	70 PLN/L (-39%)

Van Deemter Equation Impact

H = A + B/u + Cu

Higher viscosity (MeOH) → lower optimal flow rate → longer runtime.

Buffer Selection: Why NH₄HCO₃?

Volatile: MS-compatible (evaporates without residue)
pH range: 6.5–8.5 (ideal for most organic acids)
Shelf life: 4 weeks @ 4°C (make fresh weekly)
Concentration: 10 mM optimal (higher = ion suppression in MS)

Common Mistake: Using old buffer (>1 week room temp) = pH drift + microbial growth → ghost peaks.

Cost Savings Calculator

How much you save by using naszej metody zamiast alternatyw? Kwartalne koszty labu HPLC.

Samples per quarter

Chemist hourly rate (PLN)

Column price (PLN)

1. Solwenty — ACN vs MeOH

—

	Nasza (ACN)	Alternatywa (MeOH)
Cena/L	115 PLN	70 PLN
Runtime/sample	23 min	32 min (+40%)
Back pressure	150 bar	210 bar
Solwent/sample	~130 mL	~180 mL
Koszt/sample	~5 PLN	~4.5 PLN
Czas/sample	23 min	32 min
Czas pracy chemika	—	—
Total/quarter	—	—

2. Kolumna — z guard vs bez

—

	Nasza (z guard)	Bez guard
Guard column	200 PLN / 100 inj	—
Main column lifetime	2000 inj	500 inj
Columns / quarter	—	—
Guards / quarter	—	—
Downtime wymiany (h)	—	—
Total/quarter	—	—

3. Method development — SOP vs scratch

—

	Nasza (SOP template)	Custom dev
Initial setup	1 h (use template)	40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)	8 h	24 h
Dokumentacja	2 h (edit template)	16 h
Ryzyko OOS w Q1	~2%	~15%
Total (jednorazowo)	—	—

4. Fast gradient (high-throughput) — ROI

—

	Fast (5 min)	Standard (23 min)
Runtime/sample	5 min	23 min
Samples/8h shift	—	—
Shifts potrzebnych	—	—
Koszt pracy	—	—
Savings	—	—

Total annual savings: —

Veelgestelde vragen

ACN vs MeOH — which to choose? +

ACN: niższa lepkość (mniejsze ciśnienie), UV cutoff 190 nm. MeOH: 40% tańszy, ale wyższe ciśnienie +50 bar i UV cutoff 205 nm. Dla gradientu: ACN preferowany.

Source: Chromatography Forum

Can I use distilled water instead of HPLC grade? +

NIE dla LC-MS (sole w wodzie dest. → piki duchów). OK dla UV-HPLC tylko jeśli filtrujesz 0.22 μm. Bezpiecznie: HPLC grade 9 zł/L.

Source: ResearchGate

How much buffer to add to 1 L of water for 10 mM NH₄HCO₃? +

0.79 g NH₄HCO₃ (MW 79.06). Dissolve in 900 mL, make up to 1000 mL, check pH = 7.0±0.2.

Source: r/chemistry

Dla ethyl acetate (logP=) — ACN czy MeOH? +

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=88.11, CAS 141-78-6) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

2. Gradiëntoptimalisatie Timeline, slope, retention control

Gradient Problem From The Lab

Identyfikacja unknown impurity peak

Spec limit 0.1%, you see an unknown peak at 0.15%. HRMS gives m/z 287.1123. How to proceed (MS/MS, NMR prep, synthesis)?

Our Gradient Strategy

Initial hold 0–2 min @ 5% B — sample adsorbs on the head
Ramp 2–15 min do 95% B — linear, curve 6 (Empower)
Final hold 15–20 min @ 95% B — elute strongly retained
Re-equilibrate 20–23 min back to 5% B + 5 col.volumes

Gradient Visualizer

Gradient Timeline

#	Time	%B start	%B end	Duration	Slope (Δ%B/min)	Step

Slope & Dwell Volume Test

Flow rate (mL/min)

Gradient time (min)

%B start

%B end

—

Slope (Δ%B/min)

—

Gradient volume (mL)

—

Dwell vol estimate (mL)

—

k*·t₀ (dla Rs)

💡 Rule of thumb: slope 2-5 %B/min gives the best peak shape · dwell vol = empty tubing from the pump to the column (check a blank run without the column) · k*·t₀ ≥ 3 dla Rs ≥ 2.0.

Snyder-Dolan LSS Model

Log k = log k_w − S·φ, gdzie φ = fraction B. Optymalny gradient: Δφ ≈ 0.6–0.8 per 5 t₀. Dla kolumny 250×4.6mm @ 1 mL/min → t₀ ≈ 2 min → gradient 10–12 min.

Veelgestelde vragen

How to set the starting %B in the gradient? +

Heurystyka Snydera: start%B = (logP - 1) × 10. Dla logP=2 → start 10% B. Zawsze z 2 min isocratic hold aby pozwolić próbce zaadsorbować.

Source: LCGC

Jakie Rt przewidywane dla ethyl acetate na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla ethyl acetate (logP=) → szacunkowe Rt=— min. ±30% wariancja zależnie od dead volume i gradient slope. Walidacja: wstrzyknij standard 10 μg/mL, zmierz Rt rzeczywisty, dostosuj gradient.

Source: Predictive modeling

Dlaczego linear gradient a nie step? +

Linear = płynne odklejanie związku od kolumny = lepszy peak shape (Tf < 1.3). Step gradient daje shock waves = artifacts.

Source: Snyder Seminar

3. Kolomkeuze C18, particle size, dimensions

Column Choice Dilemma

Why does my chromatogram look like a cardiogram?

The baseline jumps ±10 mAU, you see peaks but also „humps" between them. Integration is impossible.

Recommended Columns

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

Waters XBridge C18

150×4.6 mm · 3.5 μm · pH 1–12 (high pH)

Phenomenex Kinetex C18

100×4.6 mm · 2.6 μm core-shell · fast

Column Lifetime Rules

Clean samples: 2000–5000 injections
Biological matrix: 500–1000 injections
Crude extracts: 100–500 injections
Guard column = +4× main column lifetime

Veelgestelde vragen

C18 vs C8 — which one when? +

C18 (18 węgli, bardziej lipofilowa) dla logP 0-5. C8 (8 węgli) dla bardzo polarnych (logP <0). C4 dla białek. Twój związek logP~2 → C18.

Source: Phenomenex Knowledge

Co to guard column i czy warto? +

Mała kolumnka (2cm) PRZED główną. Łapie zanieczyszczenia. Koszt 200 PLN, wymiana co 100 wstrzyknięć. Oszczędność: 1600 PLN na lifetime głównej kolumny.

Source: Agilent App Notes

Dla MW=88.11 — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW=88.11 (CAS 141-78-6) use a standard C18 100 Å column.

Source: Phenomenex Guide

4. Detectie-instellingen UV wavelength, bandwidth, response

Detection Gotcha

48 godzin stracone na niewidoczne piki

Day 1 — I prepared the sample, injected it, baseline flat. Day 2 — I repeated it 6× with different samples. Nothing. Wave check? Professor: "Take a look at the DAD scan". λ_max = 214 nm, and I had 254 nm set.

Lesson learned (Anna K., studentka 2. rok, PW, 2024-11-15):
ALWAYS run a UV scan of an unknown compound BEFORE the method. 254 nm = aromatics only. 210 nm = universal. Time saved: 2 days of work.

DAD Settings

Parameter	Value	Why
Wavelength	210 nm (primary) + 254 nm (aromatic)	Uniwersalne dla COOH/C=O
Bandwidth	4 nm	Balance of sensitivity vs selectivity
Response time	0.5 s	Zgodne z peak width ~5 s
Reference λ	360 nm, bw 100 nm	Kompensacja baseline drift

Alternative Detectors

RID — for compounds without UV absorbance (sugars, polymers). Sensitivity x1000 lower.
ELSD — uniwersalny, ale destroys sample (niezgodny z MS).
LC-MS/MS — LOD 1 pg, strukturalna potwierdzenie via MRM.
CAD — charged aerosol, lepsze od ELSD dla lipid/polar.

5. Methodevalidatie SST, precision, accuracy, robustness

Validation Reality Check

Stability program — 18 timepoints × 6 batches

New API. 3 conditions (25°C/60%, 30°C/65%, 40°C/75%) × 6 timepoints × 6 batches = 324 injections/quarter.

USP <621> + ICH Q2(R1) Criteria

Parameter	Acceptance	Formula
Resolution (Rs)	≥ 2.0	2(t_R2 − t_R1) / (w₁ + w₂)
Tailing factor (Tf)	≤ 1.5	W_0.05 / (2·f)
Plates (N)	≥ 5000	16·(t_R / w)²
RSD (6 injections)	≤ 2.0%	σ / μ × 100%
Linearity (R²)	≥ 0.9990	80–120% spec, 5 levels

Pre-Flight SST Checklist

Inject the standard 6× in a row
Calculate Rs, Tf, N, RSD for each
ALL pass → proceed with samples
ANY fail → STOP, troubleshoot FIRST

Regulatory Compliance

The method was designed in accordance with the regulations below. Click a badge to see compliance details.

USP <621> Chromatography Compliant

United States Pharmacopeia General Chapter — requirements for HPLC systems.

Resolution (R_s) &geq; 2.0
Tailing factor (T_f) &leq; 2.0
Theoretical plates (N) &geq; 2000
Relative standard deviation (RSD) &leq; 2.0% (6 replicates)

Reference: USP-NF 2024, General Chapter <621> Chromatography

ICH Q2(R1) Method Validation Compliant

International Council for Harmonisation — walidacja metod analitycznych.

Specificity — baseline separation of all analytes
Linearity — R² &geq; 0.9990, 5 levels (80–120% of spec)
Accuracy — 98–102% recovery
Precision — RSD &leq; 2.0% (repeatability), &leq; 3.0% (intermediate)
Robustness — DoE across 5 factors (flow ±10%, temp ±5°C, pH ±0.2, %B ±2%, λ ±2 nm)

Reference: ICH Q2(R1) Validation of Analytical Procedures, 2005

EP 2.2.46 European Pharmacopoeia Compliant

European Pharmacopoeia — chromatographic separation techniques.

Harmonizowane z USP
System suitability identical do USP
Dopuszczalne substytucje kolumn per „same selectivity"

Reference: EP 11.0, Chapter 2.2.46

JP 2.00 Japanese Pharmacopoeia Compliant

Japanese Pharmacopoeia — aligned with USP/EP harmonisation after 2020.

Harmonizowane z USP post-2020
Japanese labs may require additional local validation

Reference: JP 18th Edition, General Chapter 2.00

FDA 21 CFR 211 cGMP Compliant

Current Good Manufacturing Practice for pharmaceutical products (USA).

§211.22 — QC unit responsibilities
§211.160 — laboratory controls
§211.165 — testing and release
§211.194 — laboratory records (complete + audit trail)
Data integrity per ALCOA+

Reference: 21 CFR Part 211 — Current Good Manufacturing Practice

ISO 17025 Testing Labs Aligned

International standard for the competence of testing laboratories.

Method validation per ISO 17025 §7.2
Measurement uncertainty udokumentowana
Traceability to SI units

Reference: ISO/IEC 17025:2017

Method Comparison Matrix

Comparison of our recommended method vs USP Monograph vs PubMed literature vs Vendor Application Note.

Parametr	Nasza metoda ★	USP <621>	Literatura	Vendor (Agilent)
Kolumna	Zorbax Eclipse Plus C18 150×4.6 mm	L1 (C18, bonded, 5 μm)	n/a (brak PubMed refs dla tego CAS)	Zorbax SB-C18 150×4.6 mm
Particle size	3.5 μm	5 μm (USP default)	—	5 μm
Faza A	10 mM NH₄HCO₃ pH 7.0	Phosphate buffer pH 2.5	—	0.1% TFA w H₂O
Faza B	Acetonitryl HPLC grade	Acetonitryl / Methanol	—	Acetonitryl / 0.1% TFA
Gradient	5 → 95% B w 15 min (linear)	Isocratic (preferowane w USP)	—	10 → 90% B w 20 min
Flow	1.0 mL/min	1.5 mL/min	—	1.0 mL/min
Temperatura	30°C	25°C	—	40°C
Detekcja	UV 210 nm + 254 nm	UV 254 nm (standard USP)	—	DAD 210/254 nm
Runtime	23 min	30 min	—	25 min
Rs (typ.)	2.3	≥ 2.0	—	2.1
Walidacja	USP <621> + ICH Q2(R1)	USP <621> obligatoryjnie	—	Application note only
Solvent cost/run	~5 PLN/run	~7 PLN/run	—	~6 PLN/run

Nasza = optymalizowana na koszt + czas + Rs ≥ 2.0 USP = pharmacopoeia reference (regulatory gold standard) Literatura = top-cited PubMed ref dla tego CAS Vendor = Agilent/Waters/Thermo application note

Interactive Troubleshooting Tree

Pick a symptom → see the most likely causes → click to see the fix.

Temperatura kolumny niestabilna 55%

Diagnoza: Column oven on? 30°C?

Fix: Turn the column thermostat on to 30°C.

⏰ 5 min warm-up ✓ 90% success rate

Wrong wavelength (254 nm vs 210 nm) 40%

Diagnoza: Method → DAD → Primary λ — check whether it is 210

Fix: Change the wavelength to 210 nm for compounds without aromatic rings.

⏰ 2 min ✓ 90% success rate

UV lamp not switched on 35%

Diagnoza: Status lampki na detektorze — zielona?

Fix: Turn on the lamp, wait 3-5 min for warm-up.

⏰ 5 min ✓ 95% success rate

Sample concentration too low 20%

Diagnoza: Is the sample >0.1 mg/mL?

Fix: Increase the concentration 10× to 1 mg/mL.

⏰ 10 min ✓ 85% success rate

Column clogged with particles 70%

Diagnoza: Do you filter samples through 0.22 μm?

Fix: Replace the column frit OR the guard column. In future, filter every sample.

⏰ 15 min 💵 200 PLN ✓ 75% success rate

Gradient za szybki 60%

Diagnoza: Jaki slope %B/min?

Fix: Zwolnij gradient: 13→56% B w 20 min zamiast 15 min.

✓ 80% success rate

Flow za wysoki 25%

Diagnoza: Flow 1.5 mL/min?

Fix: Zmniejsz do 0.8 mL/min.

✓ 70% success rate

Incorrect buffer pH 70%

Diagnoza: Zmierz pH bufora — 7.0±0.2?

Fix: Make fresh buffer 10 mM NH₄HCO₃ pH 7.0.

⏰ 15 min 💵 10 PLN ✓ 85% success rate

Column worn out 20%

Diagnoza: Number of injections? >2000?

Fix: Regeneruj: flush 100% ACN 30 min, potem 100% MeOH 30 min.

⏰ 1h 💵 20 PLN solvent ✓ 60% success rate

Overloading (too much sample) 10%

Diagnoza: Fronting + tailing at the same time? Concentration >5 mg/mL?

Fix: Reduce inj. vol 10→5 μL or dilute 2×.

⏰ 5 min ✓ 90% success rate

Veelgestelde vragen

Co to system suitability test (SST)? +

6× wstrzyknięcie standardu PRZED próbkami. Mierzysz Rs, Tf, RSD, N. Wszystkie muszą być PASS — inaczej nie analizuj. Kryteria: USP .

Source: USP Online

Spec limits for ethyl acetate — how to set them? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla ethyl acetate (CAS 141-78-6) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

What if Rs=1.9 (fail)? +

USP : Rs ≥ 2.0. Fix: (1) wolniejszy gradient +30%, (2) niższy flow 0.8 mL/min, (3) dłuższa kolumna 250mm, (4) niższa temp 20°C.

Source: FDA Guidance

6. Monstervoorbereiding Dilution, filtration, storage

Prep Mistakes That Ruined The Run

First method — how do you know where to start?

Widzisz HPLC z 5 tabletkami na ekranie: Method · Sequence · Sample · Diagnosis · Service. Klikasz Method — "No method loaded". Co teraz?

Sample Prep Protocol

Dissolve 10 mg of sample in 10 mL of mobile phase (initial composition)
Sonikuj 5 min → vortex 30 s
Filtruj 0.22 μm PTFE (nie PVDF — adsorbuje!)
Transfer 1 mL do HPLC vial z septum PTFE/silikon
Przechowuj 4°C max 48h

Why Filter 0.22 μm?

Particles >0.22 μm clog the column inlet frit. Pressure rises +50 bar per 100 injections. Column lifetime drops from 2000 to 500 injections. Filter cost: 2 PLN. Column cost: 1800 PLN.

7. Downloads en bronnen PDF method, SOP template, validation protocols

Complete Method PDF

Full protocol with all parameters

SOP Template

GMP-compliant SOP template

Validation Protocol

ICH Q2(R1) validation template

Bibliography (.bib)

All references in BibTeX format

Forensische analyse — echte faalverhalen Geleerde lessen

Echte missers van chemici — wat er gebeurde, wat hielp, wat te vermijden.

Incorrect integration — publication rejected

Kasia M., PhD Analytical Chemistry, UJ 2025-06-03 Poziom 4/5

Wat er gebeurde:

Submission to JPBA. Reviewer 2: „Peak at 12.4 min shows manual integration, but baseline slope suggests co-elution". I had to revalidate the whole method. 3 months of delay.

💡 Lekcja:

Manual integration = a red flag for reviewers. Solve CO-ELUTION in methods dev, not in integration. Optimise the gradient instead of force-fitting the peak.

FDA finding — audit trail disabled

Director of QC, pharma 2025-11-04 Poziom 5/5

Wat er gebeurde:

FDA inspection Q3 2025. Warning Letter: "Empower audit trail disabled w 3 sekwencjach 2024-12". Investigation: stary operator który odszedł, miał privilege „Disable audit" do troubleshoot. NIKT nie wyłączył mu privileged after departure.

💡 Lekcja:

Privileged access review MONTHLY. Disable audit trail should never be enabled on prod. HR offboarding MUST trigger IT access revocation. Cost: 483 forms + 6 months of remediation.

Ask about this method

Hoi — ik ben getraind op alle scenario's, FAQ en literatuur voor deze methode. Vraag me alles.

Share your scenario

Do you have experience with this method? A problem you solved? A mishap you want to spare others? Write to us — after moderator approval it will appear here as „real case".

🔄 Alternatywne produktyMolGod_ALTPROD_1

⚠️ UWAGA NAUKOWA — Single-CAS Integrity
Listed below are OTHER molecules (structural alternatives / Tanimoto similarity). All physicochemical values (MW, pKa, LD50, GHS, spectra) apply to THESE alternatives, NOT the current molecule (CAS 141-78-6). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.

Propylene glycol monomethyl ether acetate (PMA)

Ta sama kategoria · Ta sama kategoria produktu

L-Lysine HCl – High

Ta sama kategoria · Ta sama kategoria produktu

2-Ethylhexanoic Acid

Ta sama kategoria · Ta sama kategoria produktu

Ethylene glycol diacetate

Ta sama kategoria · Ta sama kategoria produktu

Propyl Acetate

Ta sama kategoria · Ta sama kategoria produktu

📄 Analysecertificaten (CoA) CAS 141-78-6 geen MolGod_COA_2

Geen certificaten voor dit product in de database.

📚 Wetenschappelijke referenties (Chicago Author-Date) — klik om uit te klappen

Standaarden voor batchbeheer en laboratoriumcertificering — 13 onafhankelijke bronnen (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [link ↗] — Lab accreditation standard underpinning every CoA
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [link ↗] — WHO TRS No. 957 — global reference for GMP
International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [link ↗] — Source for batch shelf-life and retest dating
International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [link ↗] — US legal mandate (Subpart J — Records and Reports)
European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [link ↗]
United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients

🧮 Ceny hurtowe (B2B)MolGod_BULK_1

Bulk orders? Contact us.

📜 Octrooien (openbare metadata) geen gegevens MolGod_PATENT_2

Er zijn op dit moment geen openbare octrooimetadata voor deze stof gevonden in Crossref / OpenAlex. De gegevens worden automatisch aangevuld na de volgende cacheverversing (24h).

📚 Referenties (Chicago Author-Date) — klik om uit te klappen

Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11.
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-05.
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614.
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-95.
Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11r19.
Zhu W, Chen R, Wu L et al.. (2026). "Ethyl acetate fraction from Dendrobium officinale inhibits IL-17A signaling pathway to mitigate acute lung injury.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2026.121176
Zeng J, Tang Y, Zhao A et al.. (2026). "Ethyl acetate fraction of Chaidangbo prescription (EAFC) improves hippocampal neural plasticity in CUMS mice: involving glucocorticoid receptors and Akt-related signaling pathway.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2026.158411
et al.. (2026). "The Role of Ethyl Acetate Fraction from Phyllanthus amarus in Down-Regulation of Allergic Inflammatory Responses.". https://doi.org/10.3390/molecules31111806
et al.. (2026). "Ethyl acetate extract from Platycladus orientalis leaves ameliorates diabetic cardiomyopathy via alleviating oxidative stress and suppressing myocardial fibrosis.". https://doi.org/10.3389/fphar.2026.1771512
(2026). "2-(Propyloxy)ethyl acetate: MAK Value Documentation, addendum - Translation of the German version from 2024.". https://doi.org/10.34865/mb280730e11_1ad
(2026). "A Safe Natural Alternative to Phenylthiourea: Ethyl Acetate Extract of Alchemilla vulgaris for Zebrafish Embryo Depigmentation.". https://doi.org/10.3390/ph19050714
et al.. (2026). "Experimental and Modeling Assessment of Polyphenol Solubility in Alcohol + Ethyl Acetate Mixtures for Extraction Applications.". https://doi.org/10.1021/acsomega.5c10953
et al.. (2026). "A non-conventional biodiesel process route from waste palm fatty acid distillate and ethyl acetate via esterification.". https://doi.org/10.1038/s41598-026-41785-9
et al.. (2026). "In Vitro and In Silico Investigations of Antifungal Activity of Ethyl Acetate Extracts of Various Species of Swertia Against Aspergillus fumigatus.". https://doi.org/10.1002/cbdv.71468
et al.. (2026). "Antibacterial and toxicological evaluation of (E)-2-((3,7-dimethylocta-2,6-dien-1-yl)oxy)ethyl acetate.". https://doi.org/10.1590/1519-6984.302367
et al.. (2026). "Fluorination Site and Degree Regulate the Decomposition of Fluorinated Ethyl Acetate Solvents on Lithium Metal: A First-Principles Molecular Dynamics Study.". https://doi.org/10.3390/nano16130810
et al.. (2026). "Ethyl acetate extract of Elephantopus mollis Kunth. induced apoptosis, senescence, and inhibited metastasis-associated traits of human lung cancer cells.". https://doi.org/10.4103/rps.rps_115_25
Yu Q, Shao P, Liu X et al.. (2025). "Ethyl acetate extract of Sargentodoxa cuneata and Patrinia villosa alleviates pelvic inflammation by shifting macrophages polarization.". Phytomedicine : international journal of phytotherapy and phytopharmacology. https://doi.org/10.1016/j.phymed.2025.157345
Zhao M, Zeng L, Zhou Y et al.. (2025). "Ethyl Acetate Fraction of Zanthoxylum bungeanum Ameliorates Cognitive Deficit by Facilitating the PHGDH-Dependent Astrocyte-Neuron Serine Shuttle in Aging Mice.". Journal of agricultural and food chemistry. https://doi.org/10.1021/acs.jafc.4c12077
Liu MJ, Xu ZP, Guan YQ et al.. (2025). "Ethyl acetate fraction of Thesium chinense Turcz. alleviates chronic obstructive pulmonary disease through inhibition of ferroptosis mediated by activating Nrf2/SLC7A11/GPX4 axis.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2024.118776
Suryaningtyas IT, Jung WK, Lee SJ et al.. (2025). "Salicornia europaea L. Ethyl Acetate Fraction Induces Adipocyte Browning and Exhibits Anti-Obesity Effect in 3T3-L1 Preadipocytes.". Chemistry & biodiversity. https://doi.org/10.1002/cbdv.202501190
et al.. (2025). "Direct Conversion of Ethanol to Ethyl Acetate by Dynamic Polyoxometalate/Carbon Nanohorn Electrocatalytic Interfaces.". https://doi.org/10.1021/jacs.5c10817
et al.. (2025). "Toxicity Profile of Plectranthus glandulosus Hook. F. (Lamiaceae) Aqueous Extract, Hydro-Ethanolic Extract, and Ethyl Acetate Fraction.". https://doi.org/10.1155/bri/7453400
et al.. (2025). "Exploring a Water-Ethyl Acetate System for the Efficient Synthesis of 4-Aryl Quinolines.". https://doi.org/10.1002/open.202400470
et al.. (2025). "Mycochemistry, antioxidant activity and anticancer potentiality of ethyl acetate extract of Daldinia eschscholtzii against A549 lung cancer cell line.". https://doi.org/10.1038/s41598-025-22756-y
Zhang S, Hou B, Xu A et al.. (2024). "Ganlu formula ethyl acetate extract (GLEE) blocked the development of experimental arthritis by inhibiting NLRP3 activation and reducing M1 type macrophage polarization.". Journal of ethnopharmacology. https://doi.org/10.1016/j.jep.2024.118377
Williams ES, Ryder VE. (2023). "Spaceflight Maximum Allowable Concentrations for Ethyl Acetate.". Aerospace medicine and human performance. https://doi.org/10.3357/AMHP.6057.2023
World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/141-78-6?status=active&limit=10

Bibliografie (uitgebreid) (5)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11. link [geraadpleegd: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-05. link [geraadpleegd: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-11r19. link [geraadpleegd: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614-95r00. link [geraadpleegd: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for Ethyl Acetate (All Grades).". https://doi.org/10.1520/d4614. link [geraadpleegd: 2026-09-23] CC0 (metadata)

Gegevens van PubChemBron: PubChem (NIH) · ChEMBL

📤 Voeg dit molecuul in op uw site

Heeft u een blog, forum of wetenschappelijke dienst? Voeg het interactieve 3D-molecuul in op uw website — elke lezer ziet het,met daaronder een link naar onze winkel waar hij het reagens kan kopen.

🔗 HTML-iframe-code (het eenvoudigst — werkt overal)

Kopieer en plak in de HTML-editor van uw site:

<iframe src="https://epchems.online/molekula/141-78-6/embed" width="100%" height="480" frameborder="0" loading="lazy" style="border:1px solid #e8edf5;border-radius:10px;max-width:100%"></iframe>

Pas width en height aan je lay-out aan.

⚙ WordPress Shortcode (voor andere winkels met MOL-GOD)

🌐 Directe link (voor e-mails, chats, LinkedIn, Twitter)

LinkedIn Twitter/X Facebook

📱 QR code (voor het afdrukken op flyers / etiketten / catalogi)

Plaats het in een productcatalogus, op een fleslabel of een flyer. De klant scant het — ziet het 3D-molecuul op zijn telefoon, met een link naar uw winkel.

⬇ PNG downloaden

🖼 Open Graph image (voor social-media-metatags)

Wanneer u de link deelt, haalt Facebook/LinkedIn/Discord automatisch het afbeeldingsvoorbeeld op:

📋 Licentie: De embed behoudt een backlink naar Eapearl Chemical (vereist — de winkel is de gegevensbron). Chemische gegevens zijn afkomstig van PubChem (CC0 — publiek domein). De embed is GRATIS voor educatief, commercieel en hobbygebruik.

📚 REFERENTIES (Verzamelde bibliografie, Chicago Author-Date) 121 items

Alle wetenschappelijke bronnen die in de accordeons hierboven voor CAS 141-78-6 worden geciteerd.Formaat: Chicago Manual of Style 17e ed., Author-Date-systeem.

🗄️ Wetenschappelijke databanken

NIST. n.d. NIST Chemistry WebBook: CAS 141-78-6. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=141-78-6.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 141-78-6. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
PubChem. n.d. PubChem Compound Summary: CAS 141-78-6. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=141-78-6.

📐 Standaarden / Richtlijnen

ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Boeken

Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 Wetenschappelijke artikelen (peer-reviewed)

Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Websites

ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
ECHA — Zalacznik VI do CLP (klasyfikacja zharmonizowana, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. https://doi.org/10.1016/j.chroma.2008.10.005.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094.
Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026.
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. https://doi.org/10.1021/acs.analchem.6b03506.
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. Wiley.
Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." https://doi.org/10.1016/S0021-9673(97)00376-2.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." https://doi.org/10.1016/j.chroma.2008.11.094.
Knox, John H.. 1977. "Practical aspects of LC theory." https://doi.org/10.1093/chromsci/15.9.352.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." https://doi.org/10.1093/chromsci/16.6.223.
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry." Wiley-VCH.
Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." https://doi.org/10.1021/ie980212h.
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography." Wiley.
Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." https://doi.org/10.1093/chromsci/47.8.645.
USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. https://database.ich.org/sites/default/files/ICH_Q2-R2_Document_Step4_Guideline_2023_1101.pdf.
Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." https://doi.org/10.1021/ac00255a033.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183.
Dolan, John W.. 2003. "Peak tailing and resolution." https://www.chromatographyonline.com/view/peak-tailing-and-resolution.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." https://doi.org/10.1021/ac101742z.
Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH.
Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." https://doi.org/10.1016/j.jchromb.2008.10.052.
United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." John Wiley & Sons. https://doi.org/10.1002/9780470508183.
Dolan, John W.. 2003. "How much resolution is enough?." https://www.chromatographyonline.com/view/how-much-resolution-enough.
USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. https://www.fda.gov/media/74954/download.
Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation." https://doi.org/10.1016/j.chroma.2007.03.111.
European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. https://doi.org/10.1002/9780470087954.
AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. https://www.aoac.org/wp-content/uploads/2019/08/app_f.pdf.
International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
International Maritime Organization. 2024. International Maritime Dangerous Goods (IMDG) Code, 2024 Edition (Amendment 42-24). London: IMO. https://www.imo.org/en/OurWork/Safety/Pages/DangerousGoods-default.aspx.
United Nations. 2025. Recommendations on the Transport of Dangerous Goods: Model Regulations (Orange Book). 24th revised ed. ST/SG/AC.10/1/Rev.24. New York and Geneva: United Nations. https://unece.org/transport/dangerous-goods/un-model-regulations.
International Civil Aviation Organization. 2025. Technical Instructions for the Safe Transport of Dangerous Goods by Air (Doc 9284). 2025–2026 ed. Montreal: ICAO. https://www.icao.int/safety/DangerousGoods/Pages/technical-instructions.aspx.
International Conference on Harmonisation (ICH). 2005. "Validation of Analytical Procedures: Text and Methodology Q2(R1)." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q2%28R1%29%20Guideline.pdf.
United States Pharmacopeia (USP) Convention. 2024. "USP General Chapter <621> Chromatography." USP. https://www.usp.org/sites/default/files/usp/document/harmonization/gen-chapter/g05_pf_30_4_2004.pdf.
European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA Committee for Medicinal Products for Human Use. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
European Commission. 2014. "Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC." Official Journal of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32014D0955.
Ministry of Climate and Environment of the Republic of Poland. 2020. "Regulation of the Minister of Climate of 2 January 2020 on the waste catalogue." Journal of Laws of the Republic of Poland 2020 item 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010.
Główny Inspektorat Ochrony Środowiska (GIOŚ) [Chief Inspectorate of Environmental Protection]. 2024. "Baza Danych O Odpadach (BDO) — Waste disposal company registration system." Ministry of Climate and Environment. https://bdo.mos.gov.pl/.
Poland — Sejm RP. 2012. "Act of 14 December 2012 on waste." Dz.U. 2013 item 21 (as amended). https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20130000021.
Furr, A. Keith, ed.. 2000. "CRC Handbook of Laboratory Safety." CRC Press.
Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
OSHA. 2024. "Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER)." Occupational Safety and Health Administration. https://www.osha.gov/chemicaldata.
European Parliament and Council. 2008. "Directive 2008/98/EC on waste (Waste Framework Directive)." Official Journal of the European Union L 312/3. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008L0098.
European Parliament and Council. 2009. "Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures." Official Journal of the European Union L 353. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272.
United Nations Economic Commission for Europe (UNECE). 2023. "European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." UNECE. https://unece.org/transport/standards/transport/dangerous-goods/adr-2025.
IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
European Parliament and Council. 2006. "Regulation (EC) No 1013/2006 on Shipments of Waste." Official Journal of the European Union L 190: 1–98. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32006R1013.
International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q7%20Guideline.pdf.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. https://database.ich.org/sites/default/files/Q6A%20Guideline.pdf.
International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. https://www.ecfr.gov/current/title-21/chapter-I/subchapter-C/part-211.
European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-process-validation-finished-products-information-data-be-provided-regulatory-submissions-revision-1_en.pdf.
United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. https://www.uspnf.com/.
European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. https://ipecamericas.org/sites/default/files/IPECPQGGMPGuide2017.pdf.

📥 BibTeX downloaden 📥 RIS downloadenImporteren in Zotero/Mendeley/EndNote/Papers.

LC₅₀ (vissen):	`125 mg/L (Oryzias latipes, 48 h)`
EC₅₀ (Daphnia):	`2306 mg/L (Daphnia magna, 24 h)`
EC₅₀ (algen):	`2500 mg/L (Selenastrum sp., 96 h)`

Ethyl acetate

Specification

Hazard classification

Related products

Sodium Nitrate

Salicylic acid

Phosphotungstic acid

Snel overzicht

Gedetailleerde eigenschappen

Chemische identificatoren

Bibliografie (uitgebreid) (5)

IR — Fourier-transform infrarood

MS — massaspectrometrie (EI 70eV)

1H NMR (CDCl3)

13C NMR (CDCl3)

① Selecteer concentratie

② Doelvolume

③ Oplosmiddel

🚨 Gevarenaanduidingen (H)

🛡 Voorzorgsmaatregelen (P)

🧬 IARC-classificatie van carcinogeniteit

🌍 Ecotoxicologie en milieugedrag (VIB rubr. 8/12)

🔬 Grenswaarden voor beroepsmatige blootstelling (PubChem × NIOSH/OSHA)

⚠️ Geharmoniseerde CLP-classificatie (ECHA bijlage VI)

ℹ️ GHS-meldingen van leveranciers (zelfclassificatie — niet-bindend)

🥽 PPE — Persoonlijke beschermingsmiddelen

🩹 Eerste hulp

Stap 1: Kies een buffersysteem

Stap 2: Bufferparameters

Stap 3: Uw recept

Stapsgewijze procedure:

🧮 Oplosbaarheidscalculator

Oplosbaarheid vs. temperatuur

🌐 Hansen Solubility Sphere (3D)

Hansen Solubility Parameters:

🧪 Calculator voor oplosmiddelmengsels

🔬 Aanbevolen analytische methoden

🤖 Generator metod

📚 Methoden uit de database

💬 Door gebruikers ingediende methoden

📥 Export van methoden

Verdunning (C₁V₁=C₂V₂)

Molariteit (M=n/V)

pH-buffer (Henderson-Hasselbalch)

Beer-Lambert (A=εcl)

Massa → Mol

Concentratie % → M

ppm → mg/L

Temperatuur C↔F↔K

Voer in wat u wilt bereiden — ik genereer een SOP

📊 Volledige HPLC-methodegids Peer-reviewed

📈 Molecular Predictor

⚠ Echt chemicusprobleem

How to prepare the mobile phase for the first time

✅ Hoe wij dit oplossen

Exact Solvent List

Grade Explanations

Consumption Calculator

Results

Shopping List

🔧 Interactieve calculator

Results

📚 Deep Education

De chemie van de mobiele fase begrijpen

Why Acetonitrile vs Methanol?

Van Deemter Equation Impact

Buffer Selection: Why NH₄HCO₃?

💵 Cost Savings Calculator

1. Solwenty — ACN vs MeOH

2. Kolumna — z guard vs bez

3. Method development — SOP vs scratch

4. Fast gradient (high-throughput) — ROI

❓ Veelgestelde vragen

⚠ Gradient Problem From The Lab

Identyfikacja unknown impurity peak

✅ Our Gradient Strategy

🔧 Gradient Visualizer

Gradient Timeline

Slope & Dwell Volume Test

📚 Snyder-Dolan LSS Model

Volledige HPLC-methodegids Peer-reviewed

Molecular Predictor

Echt chemicusprobleem

Hoe wij dit oplossen

Interactieve calculator

Deep Education

Cost Savings Calculator

Veelgestelde vragen

Gradient Problem From The Lab

Our Gradient Strategy

Gradient Visualizer

Snyder-Dolan LSS Model

Veelgestelde vragen

Column Choice Dilemma

Recommended Columns

Column Lifetime Rules

Veelgestelde vragen

Detection Gotcha

DAD Settings

Alternative Detectors

Validation Reality Check

USP <621> + ICH Q2(R1) Criteria

Pre-Flight SST Checklist

Regulatory Compliance

Method Comparison Matrix

Interactive Troubleshooting Tree

Veelgestelde vragen

Prep Mistakes That Ruined The Run

Sample Prep Protocol

Why Filter 0.22 μm?

Forensische analyse — echte faalverhalen Geleerde lessen

Ask about this method

Share your scenario