Manufacturer since 2009 · Tongling, Anhui ISO certified Licensed for hazardous & precursor chemicals
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Eapearl Chemical
Diethylene Glycol Monoethyl Ether, CAS 111-90-0 — chemical product label

Diethylene Glycol Monoethyl Ether

Kabichol

CAS 111-90-0 EC 203-919-7 C6H14O3 Ether SDS published CLP Danger

⚠️ 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

Product NameThe diethylene glycol monooctyl ether
Other NamesKabichol
CAS No.111-90-0
EINECS No.203-919-7
MFC6H14O3
Molecular weight134.17
Purity99.0%
AppearanceColorless liquid
Density0.999g/mLat 25°C (lit.)
Melting point-80 °C
Boiling point202°C (lit.)
Flashing point205°F

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

GHS pictogram GHS08 — Health hazard

Danger

Classification source — PubChem C&L (consensus filter, not harmonised)

No harmonised entry exists for this substance; the classification shown is the supplier consensus reported to ECHA and should be confirmed for your intended use.

  • H227 Combustible liquid
  • H320 Causes eye irritation
  • H372 Causes damage to organs through prolonged or repeated exposure
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)

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

Packaging and shipping

Drum180 kg
IBC Drum1127 kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Diethylene Glycol Monoethyl Ether
Diethylene Glycol Monoethyl Ether
Diethylene Glycol Monoethyl Ether
Diethylene Glycol Monoethyl Ether

The diethylene glycol monooctyl ether (Kabichol) is an important member of the ethylene glycol ether family. It is a solvent with balanced performance, high boiling point and low volatility. Its molecular structure endows it with excellent hydrophilicity and lipophilicity, and it has strong solubilization and coupling capabilities for various resins, oils and active ingredients. Compared with other highly volatile solvents, carbomer has lower toxicity, higher flash point and milder odor. It is one of the ideal choices to meet the increasingly strict environmental protection and safety production regulations at present.

The diethylene glycol monooctyl ether (Kabichol) multi-functional high-boiling-point solvent solution provides support for applications in various industries such as coatings, cleaning,The diethylene glycol monooctyl ether (Kabichol) multi-functional high-boiling-point solvent solution provides support for applications in various industries such as coatings, cleaning,The diethylene glycol monooctyl ether (Kabichol) multi-functional high-boiling-point solvent solution provides support for applications in various industries such as coatings, cleaning,

The diethylene glycol monooctyl ether (Kabichol) multi-functional high-boiling-point solvent solution provides support for applications in various industries such as coatings, cleaning,

Product Description

Anhui Eapearl Chemical Co., Ltd., as a leading producer and solution provider of alcohol ether solvents in China, with its mature and stable production process, strict quality management system and complete supply chain network, is now continuously supplying the market with high-performance diethylene glycol monooctyl ether (Kabirul). We are committed to transforming this multi-functional and environmentally friendly solvent, which has high boiling point, excellent solubility, low volatility and good safety, into a reliable foundation for customers in the coatings, cleaning, agrochemical and personal care industries to achieve product performance optimization and green upgrading. 

Product Core Positioning 

Diethylene glycol monooctyl ether (commonly known as carbomer) is an important member of the ethylene glycol ether family. It is a solvent with balanced performance, high boiling point and low volatility. Its molecular structure endows it with excellent hydrophilicity and lipophilicity, and it has strong solubilization and coupling capabilities for various resins, oils and active ingredients. Compared with other highly volatile solvents, carbomer has lower toxicity, higher flash point and milder odor. It is one of the ideal choices to meet the increasingly strict environmental protection and safety production regulations at present.

High-performance coatings and inks: As efficient high-boiling-point solvents and leveling agents, carbomer can effectively dissolve various resins. Its slow-drying property can significantly improve the leveling, gloss, and anti-splatter properties of the coating film, reduce surface defects, and is widely used in high-solid-content coatings, industrial enamels, automotive coatings, inkjet inks, resin synthesis, and other fields.

Powerful industrial and household cleaning agents: With strong solubility for stubborn dirt such as grease, wax, and resins and long-lasting contact time due to high boiling point, it is a key active component for preparing heavy oil stain cleaning agents, degreasers, paint removers, and hard surface cleaners. The cleaning effect is remarkable, and the use is relatively safe.

Agricultural chemical formulations: As an efficient solvent, emulsifier, and penetration aid, carbomer can enhance the solubility of pesticide active ingredients and the stability of formulations, and effectively improve the wetting, spreading, and penetration ability of the pesticide solution on the target surface, thereby enhancing the efficacy. It is often used in emulsions, water emulsions, and other formulations.

Daily-use chemicals and personal care: In the formula, it serves as an excellent coupling agent, solvent, and moisturizer, which can stabilize the solubilization of fragrances, essential oils, and various active substances, improve the homogeneity of the system, and give personal care products and liquid detergents good skin feel and stability.

Printing and special chemicals: It can be used in solvent-based printing inks, ballpoint pen inks, and dyes, as a high-boiling-point solvent, to help regulate the drying speed, improve printing adhesion and color performance.

Stable and reliable quality: We adopt standardized production processes and full-process quality control to ensure that the key indicators such as purity, color, and moisture of the products are stable and consistent, meeting the strict requirements of continuous production.

High cost-effectiveness and stable supply: Relying on large-scale production and efficient supply chain management, we provide customers with competitive market prices and long-term, stable, and timely supply guarantees, making us a reliable bulk partner.

Professional technical support and services: Our technical team can provide product selection, application suggestions, and basic technical data support to assist you in optimizing the formula and solving common problems in production processes.

Safe and compliant delivery guarantee: We provide complete, standardized product safety technical specifications (MSDS) and packaging and logistics solutions in line with hazardous material transportation regulations to ensure the compliance and safety of the product from production to use throughout the process.

Anhui Eapearl  Chemical Co., Ltd., with the classic alcohol ether solvent series represented by carbomer, has always been committed to providing stable quality, professional services, and complete supply, becoming a reliable partner for a wide range of customers. We look forward to working with you to create value together.

The diethylene glycol monooctyl ether (Kabichol) multi-functional high-boiling-point solvent solution provides support for applications in various industries such as coatings, cleaning,

The diethylene glycol monooctyl ether (Kabichol) multi-functional high-boiling-point solvent solution provides support for applications in various industries such as coatings, cleaning,

Delivery&Payment method

The diethylene glycol monooctyl ether (Kabichol) multi-functional high-boiling-point solvent solution provides support for applications in various industries such as coatings, cleaning,

Frequently asked

In what packaging is diethylene glycol monooctyl ether shipped?

Standard formats are Drum (180 kg), IBC Drum (1127 kg), ISO tank (20ft) (24–26 m³), ISO tank (40ft) (48–50 m³). Other packaging can be arranged for full-container orders.

Is a safety data sheet available for diethylene glycol monooctyl ether?

Yes. A full safety data sheet for CAS 111-90-0 is published and linked from this page; a signed copy is issued with the shipping documents.

What purity do you supply?

The standard grade is 99.0%. Tighter specifications are confirmed against the production batch before shipment.

Related products

Propylene glycol monomethyl ether (PM)

Propylene glycol monomethyl ether (PM)

PM

CAS 107-98-2 99% Ether SDS Warning
Diethylene glycol monobutyl ether

Diethylene glycol monobutyl ether

Butyl Carbitol

CAS 112-34-5 99.0% Ether SDS Warning
Diethylene glycol monomethyl ether

Diethylene glycol monomethyl ether

Ether
🧬 Wizualizator molekuły 3D
Ładowanie molekuły...
Model 3D Diethylene Glycol Monoethyl Ether, CAS 111-90-0, wzór sumaryczny C6H14O3, masa molowa 134.17 g/mol

Dane transkrybowane z rejestrów regulacyjnych i literatury fachowej, z podaniem źródła i wydania. Nie zastępują karty charakterystyki dostawcy. Pola bez zapisanego źródła oznaczone jako takie.

📊 Dane fizykochemiczne — CAS 111-90-0MolGod_PROPHUB_MAIN
📊 Właściwości fizykochemiczne

Szybki przegląd

Wzór: C6H14O3
MW: 134.17 g/mol
CAS: 111-90-0
Wygląd: Bezbarwna ciecz
Zapach: Mild, pleasant odor

Właściwości szczegółowe

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

Właściwość Wartość Jednostka Warunki Źródło
Density (ρ) 0.99 at 20 °C (USCG, 1999) - Less dense than water; will float[1] CAMEO Chemicals ↗
Temperatura topnienia (mp) -77.8 °C (NTP, 1992) CAMEO Chemicals ↗
Temperatura wrzenia (bp) 202.2 °C at 760 mmHg (NTP, 1992) CAMEO Chemicals ↗
Temperatura zapłonu 96.1 °C (NTP, 1992) CAMEO Chemicals ↗
Prężność par 0.13 mmHg at 25 °C (NTP, 1992)[1] CAMEO Chemicals ↗
Rozpuszczalność w wodzie greater than or equal to 100 mg/mL at 20 °C (NTP, 1992) CAMEO Chemicals ↗
Lepkość (η) 3.85 mPa.s (=cPs) at 25 °C[1][2] Hazardous Substances Data Bank (HSDB) ↗
Współczynnik załamania światła (nD) Index of refraction: 1.4273 at 20 °C/D[1][2] Hazardous Substances Data Bank (HSDB) ↗
🔬 Właściwości zaawansowane

Identyfikatory chemiczne

SMILES: CCOCCOCCO
InChI: InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
InChIKey: XXJWXESWEXIICW-UHFFFAOYSA-N

Data sources: CAMEO Chemicals, Hazardous Substances Data Bank (HSDB)

Ostatnia aktualizacja: niepotwierdzona

📚 Naukowe referencje (Chicago Author-Date) (2 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Density (ρ) · Prężność par · Lepkość (η) · Współczynnik załamania światła (nD)
  2. NLM. Hazardous Substances Data Bank (HSDB). National Library of Medicine. ↗ dotyczy: Lepkość (η) · Współczynnik załamania światła (nD)
Przegląd chemiczny: Diethylene Glycol Monoethyl EtherMolGod_OVERVIEW_1
Wzór sumarycznyC6H14O3[1]
Masa cząsteczkowa134.17 g/mol[1]
LogP (lipofilowość)-0.5[1]
Nazwa IUPAC2-(2-ethoxyethoxy)ethanol[1]
SMILESCCOCCOCCO[1]
InChIKeyXXJWXESWEXIICW-UHFFFAOYSA-N[1]

Synonimy: Diethylene glycol monoethyl ether · 111-90-0 · 2-(2-Ethoxyethoxy)ethanol · CARBITOL · Transcutol

Data sources: PubChem (NLM/NIH)
Last updated: 2026-09-02

📚 Naukowe referencje (Chicago Author-Date) (1 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Wzór sumaryczny · Masa cząsteczkowa · LogP (lipofilowość) · Nazwa IUPAC · SMILES · InChIKey

BADANIA NAUKOWE

[1]PubMed2024
Skin Penetration and Permeation Properties of Transcutol(®) in Complex Formulations.
Musakhanian J, Osborne DW, Rodier JD. (2024). "Skin Penetration and Permeation Properties of Transcutol(®) in Complex Formulations.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-024-02886-8
Przejdź do pełnego badania ↗
[2]PubMed2024
An Advanced Twin-Screw Granulation Technology: The use of Non-Volatile Solvents with High Solubilizing Capacity.
Kolipaka SS, Junqueira LA, Ross S et al.. (2024). "An Advanced Twin-Screw Granulation Technology: The use of Non-Volatile Solvents with High Solubilizing Capacity.". AAPS PharmSciTech. https://doi.org
Przejdź do pełnego badania ↗
[3]PubMed2022
Review of Pharmaceutical Applications of Diethylene Glycol Monoethyl Ether.
Hashemzadeh N, Jouyban A. (2022). "Review of Pharmaceutical Applications of Diethylene Glycol Monoethyl Ether.". Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society f
Przejdź do pełnego badania ↗
[4]PubMed2018
Skin Penetration and Permeation Properties of Transcutol®-Neat or Diluted Mixtures.
Osborne DW, Musakhanian J. (2018). "Skin Penetration and Permeation Properties of Transcutol®-Neat or Diluted Mixtures.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-018-1196-8
Przejdź do pełnego badania ↗
[5]PubMed2014
A review of the nonclinical safety of Transcutol®, a highly purified form of diethylene glycol monoethyl ether (DEGEE)…
Sullivan DW Jr, Gad SC, Julien M. (2014). "A review of the nonclinical safety of Transcutol®, a highly purified form of diethylene glycol monoethyl ether (DEGEE) used as a pharmaceutical excipient.".
Przejdź do pełnego badania ↗
[6]PubMed2011
Diethylene glycol monoethyl ether: an emerging solvent in topical dermatology products.
Osborne DW. (2011). "Diethylene glycol monoethyl ether: an emerging solvent in topical dermatology products.". Journal of cosmetic dermatology. https://doi.org/10.1111/j.1473-2165.2011.00590.x
Przejdź do pełnego badania ↗
[7]PubMed1997
Reproductive toxicology. Diethylene glycol monoethyl ether.
(1997). "Reproductive toxicology. Diethylene glycol monoethyl ether.". Environmental health perspectives.
Przejdź do pełnego badania ↗
📚 Naukowe referencje (Chicago Author-Date) 6 refs · 1 baz

MOLECULE Bibliografia per-CAS (live z 13+ baz)

Źródła: db:pubmed (7)

  1. db:pubmed Musakhanian J, Osborne DW, Rodier JD. (2024). "Skin Penetration and Permeation Properties of Transcutol(®) in Complex Formulations.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-024-02886-8 →
  2. db:pubmed Kolipaka SS, Junqueira LA, Ross S et al.. (2024). "An Advanced Twin-Screw Granulation Technology: The use of Non-Volatile Solvents with High Solubilizing Capacity.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-024-02890-y →
  3. db:pubmed Hashemzadeh N, Jouyban A. (2022). "Review of Pharmaceutical Applications of Diethylene Glycol Monoethyl Ether.". Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques. https://doi.org/10.18433/jpps32921 →
  4. db:pubmed Osborne DW, Musakhanian J. (2018). "Skin Penetration and Permeation Properties of Transcutol®-Neat or Diluted Mixtures.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-018-1196-8 →
  5. db:pubmed Sullivan DW Jr, Gad SC, Julien M. (2014). "A review of the nonclinical safety of Transcutol®, a highly purified form of diethylene glycol monoethyl ether (DEGEE) used as a pharmaceutical excipient.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2014.06.028 →
  6. db:pubmed (1997). "Reproductive toxicology. Diethylene glycol monoethyl ether.". Environmental health perspectives.
Status regulacyjny substancji
Ta substancja podlega wymogom regulacyjnym: gospodarka odpadami niebezpiecznymi (BDO). Szczegoly w sekcji "Status regulacyjny (REACH/ECHA/CLP)" oraz na karcie SDS. Informacja regulacyjna — nie ogranicza zakupu w sklepie.
🧮 Kalkulator stechiometrycznyMolGod_STOICH_1
🧪 Dane chemiczneMolGod_CHEMDATA_1
Numer CAS
111-90-0
Wzór sumaryczny
C6H14O3
Masa molowa
134.17 g/mol
Nazwa IUPAC (EN)
2-(2-ethoxyethoxy)ethanol
SMILES
CCOCCOCCO
InChIKey
XXJWXESWEXIICW-UHFFFAOYSA-N
📚 Literatura naukowa (11 artykuł)MolGod_LITSCI_1
Filtruj:
Sortuj:
📈 Oś czasu publikacji
1990
2011
2014
2015
2019
2020
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📡 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
202.1
Density
0.99

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

🔍 Identyfikatory zewnętrzneMolGod_EXTID_1
12 z 16 systemów ID75%
BazaIdentyfikatorAkcje
CAS Registry Number111-90-0Otwórz →
PubChem CID8146[1]Otwórz →
InChIKeyXXJWXESWEXIICW-UHFFFAOYSA-N[1]Otwórz →
InChIInChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H…[1]
SMILESCCOCCOCCO[1]
EC Number203-919-7[2]Otwórz →
ChEMBLCHEMBL1230841[3]Otwórz →
KEGG CompoundD08904Otwórz →
ChemSpider13839107[4]Otwórz →
UNII (FDA)A1A1I8X02BOtwórz →
NSC Number (NCI)408451Otwórz →
WikiData QIDQ416399Otwórz →

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

📚 Naukowe referencje (Chicago Author-Date) (4 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
  4. 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.

Bibliografia (rozszerzona) (5)

  1. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 1979. "DIETHYLENE GLYCOL MONOETHYL ETHER." Monographs on Fragrance Raw Materials: 303-304. https://doi.org/10.1016/b978-0-08-023775-6.50217-4. link [dostep: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_03_01. link [dostep: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_20101_01. link [dostep: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_02_01. link [dostep: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Hydrate Equilibrium Conditions for Water, Diethylene Glycol Monoethyl Ether Acetate, and Methane.". https://doi.org/10.1021/acs.jced.6b00642.s001. link [dostep: 2026-09-23] CC0 (metadata)
📡 Spektroskopia — CAS 111-90-0MolGod_SPECHUB_MAIN
📊 Widma (NMR, IR, MS, UV-Vis) (1)

Dostępne typy widm: IR

Widmo IR (KBr, 4000-400 cm⁻¹)

440 punktów danych · Źródło: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 Przewodnik interpretacji widm (dla studentów)
Jak czytać widmo IR
  • 3200-3600 cm⁻¹ — rozciąganie O-H (szeroki pik = wiązanie wodorowe)
  • 2850-3000 cm⁻¹ — rozciąganie C-H (sp³)
  • 1650-1750 cm⁻¹ — rozciąganie C=O (ketony, aldehydy, estry)
  • 1400-1600 cm⁻¹ — drgania pierścienia aromatycznego
  • 1000-1300 cm⁻¹ — rozciąganie C-O (etery, alkohole)
  • Brak absorpcji = brak grupy funkcyjnej → porównaj z referencją

Źródła: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Naukowe referencje (Chicago Author-Date) (7 źródeł)
  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
  3. Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
  4. Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
  5. Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
  6. McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
Wlasciwosci strukturalneMolGod_STRUCT3D_1

Ladowanie danych strukturalnych...

❓ Najczęstsze pytania (3)MolGod_FAQ_1
What is 111-90-0?
111-90-0 (CAS 111-90-0) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Pomocne?
What is the CAS number of 111-90-0?
The CAS number for 111-90-0 is 111-90-0. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Pomocne?
How should 111-90-0 be stored?
111-90-0 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.
Pomocne?
➕ Zaproponuj pytanie
Pobierz pliki strukturyMolGod_STRDL_1

Pliki struktury molekularnej z bazy PubChem (NIH). Kompatybilne z programami: Avogadro, PyMOL, Jmol, ChemDraw.

Zrodlo: PubChem, National Library of Medicine (NIH). CID: 8146

🔄 Konwerter jednostek stężeń LIVE MolGod_UNITCONV_1

Wpisz stężenie Diethylene Glycol Monoethyl Ether w dowolnej jednostce — reszta obliczy się automatycznie.

MW: 134.17 g/mol · IUPAC Gold Book ↗

⚗️ Wzory konwersji + cytacje (per formuła)
KonwersjaWzórDokładnośćŹródło
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen 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) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (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 ↔ molarityc (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 ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen 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 ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen 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)
📚 Bibliografia (8 źródeł autorytatywnych)
  1. 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
  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). 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
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. 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
  6. 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)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. 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
Podobne struktury molekularneMolGod_SIMSTR_1

Ladowanie podobnych struktur...

Wyjasnienia naukoweMolGod_EDU3D_1

Automatycznie wygenerowane wyjasnienia na podstawie wlasciwosci molekularnych i oznaczen GHS. Zrodlo: dane PubChem + klasyfikacja CLP/GHS.

Czasteczka umiarkowanie polarna

LogP = -0.50 wskazuje na rownowage miedzy hydrofilowoscia a lipofilowoscia. Czasteczka moze rozpuszczac sie zarowno w wodzie, jak i w niektorych rozpuszczalnikach organicznych.

Interpretacja na podstawie XLogP3 (PubChem)
🧪 Kreator przygotowania roztworu WIZARD MolGod_PREP_1
① Wybierz stężenie
② Objętość docelowa
③ Rozpuszczalnik

Obliczenia wg: IUPAC Gold Book ↗, Merck ↗

Chemia obliczeniowaMolGod_COMPCHEM_1

Ladowanie danych obliczeniowych...

🛡️ Bezpieczeństwo — CAS 111-90-0MolGod_SAFEHUB_MAIN
Informacja o ograniczeniach danych. Informacje dotyczące bezpieczeństwa zawarte na tej stronie mają charakter informacyjny i nie zastępują pełnej karty charakterystyki (SDS). Przed użyciem produktu zapoznaj się z aktualną kartą charakterystyki producenta oraz wytycznymi GHS/CLP. Klasyfikacja CLP dotyczy czystej substancji bulk, nie preparatów handlowych.

Klasyfikacja GHS/CLP — Rozporządzenie (WE) nr 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Niebezpieczeństwo (Danger)
GHS08 — Zagrożenie dla zdrowia
GHS08 Zagrożenie dla zdrowia

🚨 Zwroty wskazujące rodzaj zagrożenia (H)

  • H227 — Substancja ciekła palna
  • H320
  • H372 — Powoduje uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

🛡 Zwroty określające środki ostrożności (P)

  • P210 — Przechowywać z dala od źródeł ciepła, gorących powierzchni, źródeł iskrzenia, otwartego ognia i innych źródeł zapłonu. Nie palić

⚠ Klasyfikacja na podstawie konsensusu źródeł (PubChem / zgłoszenia dostawców) — nie zweryfikowano względem zharmonizowanej klasyfikacji w załączniku VI (CLP). Zakres zagrożeń może być szerszy niż klasyfikacja urzędowa; przed zastosowaniem zweryfikować z aktualną kartą charakterystyki dostawcy.

Tłumaczenia: Rozporządzenie CLP (WE) 1272/2008, Załącznik III i IV. Dane: PubChem/NLM.

📚 Skonsolidowane referencje naukowe — Chicago Author-Date 10 źródeł

Referencje zebrane ze wszystkich zakładek Safety Hub. CAS: 111-90-0 · PubChem ↗

  1. 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, Regulacje
  2. 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
  3. 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
  4. 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
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. 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

Zakładki z własnymi referencjami (Emergency, PPE, Storage, Waste) zawierają dodatkowe pozycje bibliograficzne wewnątrz swoich sekcji.

📈 Statystyka analityczna (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Wklej serię powtórzeń pomiarów (CSV lub po jednej liczbie w linii). Kalkulator policzy średnią, odchylenie, 95% CI, wykryje outliery (Grubbs + Dixon Q).

Separator: przecinek, spacja, tab, nowa linia. Min 3 pomiary.
📐 Formuły statystyczne
  • x̄ = Σxᵢ / n — średnia arytmetyczna
  • s² = Σ(xᵢ - x̄)² / (n-1) — wariancja próby
  • s = √s² — odchylenie standardowe
  • RSD% = (s / x̄) × 100% — względne odchylenie
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test Grubbsa
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

🧪 Kalkulator receptur buforów UNIKALNE
References: Wartości pKa z Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Wybierz bufor z listy 20 popularnych systemów → wprowadź docelowe pH → otrzymasz dokładny przepis z masami do odważenia.

Krok 1: Wybierz system buforowy

📜 Historia przepisów (ostatnie 10)
📅 Project Planner — Lab experiment manager NOWOŚĆ

Zaplanuj cały projekt laboratoryjny: dodaj eksperymenty z reagentami, powtórzeniami i czasem trwania. Otrzymasz wykres Gantta, listę zakupów (linki do sklepu!), budżet z 10% marginesem i macierz ryzyka GHS.

🧪 Rozpuszczalność i kompatybilność z solwentami MolGod_SOLUB_1
Molekuła
Diethylene Glycol Monoethyl Ether
Wzór
C6H14O3
logP (XLogP3)
-0.50
Masa (g/mol)
134.17
Polarność
Hydrofilowa (polarna)

⚠️ Estymacja GC (Hoftyzer-Van Krevelen). Brak danych literaturowych HSP dla tego CAS — precyzja ±2 MPa½. Weryfikuj eksperymentalnie.

Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.
📚 Naukowe referencje dla solwentów (Chicago Author-Date) — kliknij aby rozwinąć

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

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Teoria rozpuszczalności (zastosowane w przewidywaniu kompatybilności):
  1. 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).
  2. 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) + wzór Ra.
  3. 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
  4. 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.
  5. 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.
  6. 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.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Kompletny tabularny zestaw 250+ rozpuszczalników (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 111-90-0 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Kompletna bibliografia w akordeonie REFERENCJE (na dole strony) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Sprawdź kompatybilność reakcji MolGod_RXNCOMP_1
1 1 0
Zdrowie: 1/4
Palność: 1/4
Reaktywność: 0/4
Wg NFPA 704 / obliczone z H-codes

Sprawdź czy Diethylene Glycol Monoethyl Ether jest kompatybilny z innym odczynnikiem

📦 Matryca kompatybilności przechowywania
Kwasy Zasady Utleniacze Łatwopalne Toksyczne Gazy
Kwasy ✓ ✗ ✗ ✗ ⚠ ✗
Zasady ✗ ✓ ⚠ ⚠ ⚠ ⚠
Utleniacze ✗ ⚠ ✓ ✗ ⚠ ✗
Łatwopalne ✗ ⚠ ✗ ✓ ⚠ ✗
Toksyczne ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Można razem · ⚠ Ostrożnie · ✗ NIE przechowywać razem · OSHA Chemical Segregation ↗

Dane kompatybilności z: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Kalkulatory laboratoryjne (8) MolGod_LABCALC_1
Rozcieńczenie (C₁V₁=C₂V₂)
Molarność (M=n/V)
pH Bufor (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Masa → Mole
Stężenie % → M
ppm → mg/L
Temperatura C↔F↔K

Formuły zweryfikowane: IUPAC Gold Book ↗, DOI ↗

📊 Bazy widm spektroskopowych MolGod_SPECDB_3
📋 Generator protokołu laboratoryjnego MolGod_PROTOCOL_1

Protokół wygenerowany na podstawie: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generator etykiety (QR) MolGod_LABEL_1
Diethylene Glycol Monoethyl Ether• 2-(2-Ethoxyethoxy)ethanol / Carbitol• IUPAC: 2-(2-ethoxyethoxy)ethanol• CAS: 111-90-0• EC: 203-919-7• Wzór: C6H14O3• Masa: 134.17 g/molNIEBEZPIECZEŃSTWOZwroty wskazujące rodzaj zagrożenia (H):(zgłoszenia dostawców — samoklasyfikacja, niewiążące)H227 H372P210WYŁĄCZNIE DO CELÓW LABORATORYJNYCH!Anhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
🧪 Asystent przygotowania roztworu (Smart Prep) MolGod_PREP_2

Wpisz co chcesz przygotować — wygeneruję SOP

Przykłady poniżej — kliknij żeby wstawić:
Gotowe przepisy:
📚 Przegląd literatury naukowej — CAS 111-90-0MolGod_LITHUB_MAIN
⭐ Najważniejsze odkrycia (literatura naukowa) 20 publikacji
🏆 CAS 111-90-0 — multi-criteria ranking (W12): 30% cytowania · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Nastaran Hashemzadeh; Abolghasem Jouyban (2022) · Journal of Pharmacy & Pharmaceutical Sciences
    Dlaczego ważne: Open access
    SCORE 9.38 Mechanizm Citations: 14 Open Access DOI ↗ PubMed ↗
  2. #2
    Zhang Hongyu, Guo Jingwen, Wang Zhi et al. (2023) · Acta Pharmaceutica
    Dlaczego ważne: Aktualna (2023) · open access
    SCORE 9.28 Mechanizm Citations: 5 Open Access DOI ↗
  3. #3
    et al. (2020) · Pharmaceutics
    Dlaczego ważne: Open access
    SCORE 9.15 Mechanizm Citations: 19 Open Access DOI ↗ PubMed ↗
  4. #4
    Dexter W. Sullivan; Shayne C. Gad; Marjorie Julien (2014) · Food and Chemical Toxicology
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 8.53 Farmakologia Citations: 80 DOI ↗ PubMed ↗
  5. #5
    et al. (2019) · DARU Journal of Pharmaceutical Sciences
    Dlaczego ważne: Open access
    SCORE 8.07 Mechanizm Citations: 10 Open Access DOI ↗ PubMed ↗
  6. #6
    Sujata Pandey; Gabriella Baki (2025) · Gels
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 7.68 Mechanizm Citations: 2 Open Access DOI ↗ PubMed ↗
  7. #7
    Maria Magdalena Naum; Mihaela Neagu; Vasile Dumitrescu (2025) · Molecules
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 7.68 Mechanizm Citations: 2 Open Access DOI ↗ PubMed ↗
  8. #8
    Y. Giesen, C. Friedrich, D. Breuer et al. (2019) · The MAK‐Collection for Occupational Health and Safety
    Dlaczego ważne: Open access
    SCORE 6.55 Analityka Open Access DOI ↗
  9. #9
    et al. (2015) · International Journal of Pharmaceutics
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 5.64 Mechanizm Citations: 23 DOI ↗ PubMed ↗
  10. #10
    et al. (2011) · Food Chemistry
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 4.94 Analityka Citations: 18 DOI ↗
  11. #11
    David R. Lide (2024) · Handbook of Organic Solvents
    Dlaczego ważne: Aktualna (2024)
    SCORE 4 Mechanizm DOI ↗
  12. #12
    et al. (1990) · Fundamental and Applied Toxicology
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 3.44 Farmakologia Citations: 13 DOI ↗ PubMed ↗
  13. #13
    et al. (2021) · Clinical Toxicology
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 3.3 Farmakologia DOI ↗ PubMed ↗
  14. #14
    (1997) · Environmental Health Perspectives
    Dlaczego ważne: Open access
    SCORE 3.15 Mechanizm Citations: 1 Open Access DOI ↗
  15. #15
    Chia-Shing Wu; Yu-Sing Wu; Yun Chen (2014) · Phys. Chem. Chem. Phys.
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 2.9 Mechanizm Citations: 1 DOI ↗ PubMed ↗
  16. #16
    (1997) · Environmental Health Perspectives
    Dlaczego ważne: Open access
    SCORE 2.25 Mechanizm Open Access DOI ↗ PubMed ↗
  17. #17
    (2017) · Chemical Effects in Biological Systems (CEBS)
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 2.1 Mechanizm DOI ↗
  18. #18
    (2007) · Hawley's Condensed Chemical Dictionary
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0 Mechanizm DOI ↗
  19. #19
    (2007) · Hawley's Condensed Chemical Dictionary
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0 Mechanizm DOI ↗
  20. #20
    (2007) · Hawley's Condensed Chemical Dictionary
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0 Mechanizm DOI ↗
🔬 HPLC — metody i parametry — CAS 111-90-0MolGod_HPLCHUB_MAIN
🔬 Metody HPLC/GC (1 metoda)
📄
Permeation Enhancer in Microemulsions and Microemulsion-Based Gels: A Comparison of Diethylene Glycol Monoethyl Ether and Oleyl Alcohol
HPLCGels202590% ✓CC-BYResearch method (specificity, robustness)
Kolumna: C18, 150 x 4.6 mm, 4 μm
Faza: was acetonitrile (ACN) and buffer (pH 2.5) mixed at a 60:40 (v/v)…
Detekcja: UV 220 nm
Przepływ: 1.00 mL/min
Temp.: 21.0 °C
Inj.: 10 μL
Pandey S, Baki G. Permeation Enhancer in Microemulsions and Microemulsion-Based Gels: A Comparison of Diethylene Glycol Monoethyl Ether and Oleyl Alcohol. Gels. 2025;11:41. doi:10.3390/gels11010041
🔗 DOI🏠 PMC📚 PubMed📄 PDF
Microemulsions have been commonly used with various permeation enhancers to improve permeability through the skin. The purpose of this study was to compare the release and permeation ability of two commonly used permeation enhancers—diethylene glycol monoethyl ether (DGME) and oleyl alcohol—by the changes in oil composition, the addition of a gelling agent, and water content using ibuprofen as a model drug. Four microemulsions were formulated, selection was based on ternary phase diagrams, and physicochemical properties were evaluated. The release and permeation of the microemulsion formulations were performed in vitro by Franz cell studies on a regenerated cellulose membrane and a Strat-M® membrane, respectively, and the amount of ibuprofen permeated and released was analyzed by high-performance liquid chromatography (HPLC). All four microemulsions were compatible with the skin pH, and the average pH ranged from 4.9 to 5.6. The average droplet size of the microemulsions ranged from 119.8 to 153.3 nm. Drug release was significantly the highest from the gel-based microemulsions (59% and 64%, p < 0.05). However, there was a fourfold difference in drug permeation from these gels—a significantly higher permeation from the microemulsion-gel containing oleic acid and oleyl alcohol compared to the DGME formulation. These results indicated that the microemulsion-gel with oleyl alcohol as the permeation enhancer could be a preferable formulation approach for the topical administration of ibuprofen. These results highlight the need for optimization of the microemulsion formulation to confirm the permeation-enhancing effects of chosen permeation enhancers despite being a well-known permeation enhancer.
ibuprofenmicroemulsion designternary phase diagramspermeation enhancerspermeation
📈 Walidacja metody (ICH Q2)

Brak danych walidacyjnych. Skontaktuj się z autorem metody.

Parametry wg: ICH Q2(R2) ↗

🔧 Troubleshooting HPLC/GC
Szerokie piki / tailing
Przyczyny: Zużyta kolumna, złe pH fazy, przeciążenie kolumny, dead volume
Rozwiązanie: Wymień kolumnę, sprawdź pH buforu (±0.2), zmniejsz objętość nastrzyku, sprawdź połączenia
Dryft linii bazowej
Przyczyny: Zanieczyszczona faza ruchoma, gradient, temperatura niestabilna
Rozwiązanie: Odgazuj fazę, filtruj 0.22 µm, stabilizuj temperaturę kolumny, przemyj system
Brak piku
Przyczyny: Zła długość fali, substancja nie eluuje, rozkład termiczny, zła faza
Rozwiązanie: Sprawdź λmax, wydłuż gradient, obniż temperaturę, zmień fazę ruchomą
Piki duchów (ghost peaks)
Przyczyny: Zanieczyszczenie systemu, carry-over, zanieczyszczone fiolki
Rozwiązanie: Wyczyść system (MeOH/H₂O), użyj nowych fiolek, wstrzyknij blank
Niski odzysk
Przyczyny: Adsorpcja na ściankach, niedostateczna ekstrakcja, rozkład
Rozwiązanie: Dodaj IS, silanizuj szkło, zoptymalizuj ekstrakcję, sprawdź stabilność

Źródła: Snyder, Kirkland & Dolan ↗, Waters ↗

Kompletny przewodnik po metodzie HPLC Recenzowane

Scenariusze specyficzne dla cząsteczki, rozwiązywanie problemów i odniesienia literaturowe

Molecular Predictor

The predicted parameters for this molecule (CAS 111-90-0) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
-0.05 min
Range: 0.5 – -0.07
confidence: low
Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min
UV λmax
210 nm
confidence: medium
No strong chromophore detected → 210 nm uniwersalne
Concentration
0.5 mg/mL
= 3.727 mM
confidence: high
Safe linear range detektora UV (nie przekroczy 1.5 AU)
Buffer pH
2
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.

Prawdziwy problem chemika

First gradient — what to do step by step

You click Method Editor and see 10 empty time/%B rows. Where to start? How many points to enter?

Jak to rozwiązujemy

1

Exact Solvent List

Name + CAS + Grade + Role in method

2

Grade Explanations

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

3

Consumption Calculator

4

Shopping List

One-click add to cart

Kalkulator interaktywny

Deep Education

Zrozumieć chemię fazy ruchomej

Why Acetonitrile vs Methanol?
PropertyAcetonitrile (ACN)Methanol (MeOH)
Viscosity (20°C)0.37 cP0.59 cP (+59%)
Back Pressure~150 bar~210 bar (+40%)
UV Cutoff190 nm205 nm
Elution StrengthStrongerWeaker
Price (typical)115 PLN/L70 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.

1. Solwenty — ACN vs MeOH

—
Nasza (ACN)Alternatywa (MeOH)
Cena/L115 PLN70 PLN
Runtime/sample23 min32 min (+40%)
Back pressure150 bar210 bar
Solwent/sample~130 mL~180 mL
Koszt/sample~5 PLN~4.5 PLN
Czas/sample23 min32 min
Czas pracy chemika——
Total/quarter——

2. Kolumna — z guard vs bez

—
Nasza (z guard)Bez guard
Guard column200 PLN / 100 inj—
Main column lifetime2000 inj500 inj
Columns / quarter——
Guards / quarter——
Downtime wymiany (h)——
Total/quarter——

3. Method development — SOP vs scratch

—
Nasza (SOP template)Custom dev
Initial setup1 h (use template)40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)8 h24 h
Dokumentacja2 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/sample5 min23 min
Samples/8h shift——
Shifts potrzebnych——
Koszt pracy——
Savings——
Total annual savings: —

Najczęściej zadawane pytania

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

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

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=134.17, CAS 111-90-0) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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

Gradient Problem From The Lab

Impurity profiling per ICH Q3

You are developing a stability-indicating method. You have to detect impurities at the 0.05% level. System suitability: Rs ≥ 2.0, LOD 0.01%.

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 endDurationSlope (Δ%B/min)Step

Slope & Dwell Volume Test

—
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 kw − 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.

Najczęściej zadawane pytania

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

Source: Snyder Seminar

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

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla 2-(2-ethoxyethoxy)ethanol (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

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

A

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

B

Waters XBridge C18

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

C

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

Najczęściej zadawane pytania

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

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

Rule of thumb: analyty MW10000 (białka) → pore 1000 Å. Dla MW=134.17 (CAS 111-90-0) użyj standardowej kolumny C18 100 Å.

Source: Phenomenex Guide

Detection Gotcha

Pressure too high — what next?

Pressure rises to 400 bar (max 300 for this column). The system is blaring an alarm. Do you shut the pump down? Yes/no?

DAD Settings

ParameterValueWhy
Wavelength210 nm (primary) + 254 nm (aromatic)Uniwersalne dla COOH/C=O
Bandwidth4 nmBalance of sensitivity vs selectivity
Response time0.5 sZgodne z peak width ~5 s
Reference λ360 nm, bw 100 nmKompensacja 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.

Validation Reality Check

Method transfer from Warsaw to Krakow failed

At first we ran it in the Warsaw lab. Transfer to Kraków: every Rt shifted +0.8 min, Rs borderline at 1.9-2.1. Investigation: buffers from different manufacturers (Merck vs Sigma-Aldrich) differed by 0.2 in pH. 6 weeks of transfer revalidation.
Lesson learned (R&D team, 2 sites, 2025-09-18):
Transfer requires a SPEC for the buffer (manufacturer, grade, LOT). Not just „NH4HCO3 10 mM pH 7.0". Run a preliminary system suitability on the new instrument before the full transfer.

USP <621> + ICH Q2(R1) Criteria

ParameterAcceptanceFormula
Resolution (Rs)≥ 2.02(tR2 − tR1) / (w1 + w2)
Tailing factor (Tf)≤ 1.5W0.05 / (2·f)
Plates (N)≥ 500016·(tR / w)²
RSD (6 injections)≤ 2.0%σ / μ × 100%
Linearity (R²)≥ 0.999080–120% 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 (Rs) &geq; 2.0
  • Tailing factor (Tf) &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) Literatura: Tuntiyasawasdikul S, Limpongsa E, Jaipak (2018) Zorbax SB-C18 150×4.6 mm
Particle size 3.5 μm 5 μm (USP default) 3–5 μm 5 μm
Faza A 10 mM NH₄HCO₃ pH 7.0 Phosphate buffer pH 2.5 Varies per paper 0.1% TFA w H₂O
Faza B Acetonitryl HPLC grade Acetonitryl / Methanol ACN lub MeOH Acetonitryl / 0.1% TFA
Gradient 5 → 95% B w 15 min (linear) Isocratic (preferowane w USP) Custom per publikacja 10 → 90% B w 20 min
Flow 1.0 mL/min 1.5 mL/min 0.8–1.2 mL/min 1.0 mL/min
Temperatura 30°C 25°C 25–40°C 40°C
Detekcja UV 210 nm + 254 nm UV 254 nm (standard USP) UV/MS (per paper) DAD 210/254 nm
Runtime 23 min 30 min 15–45 min 25 min
Rs (typ.) 2.3 ≥ 2.0 varies 2.1
Walidacja USP <621> + ICH Q2(R1) USP <621> obligatoryjnie Research-grade Application note only
Solvent cost/run ~5 PLN/run ~7 PLN/run varies ~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

Najczęściej zadawane pytania

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

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla 2-(2-ethoxyethoxy)ethanol (CAS 111-90-0) 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

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

Source: USP Online

Prep Mistakes That Ruined The Run

Why am I not seeing any peaks?

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.
Lesson learned (Student MSc, UW, 2024-10):
Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

Sample Prep Protocol

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

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

Analiza powypadkowa — prawdziwe historie porażek Wnioski

Prawdziwe wpadki chemików — co się stało, co pomogło, czego unikać.

48 godzin stracone na niewidoczne piki

Anna K., studentka 2. rok, PW 2024-11-15 Poziom 2/5
Co się stało:

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.

💡 Lekcja:

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.

10 columns in 2 months — wrong filter

Marta K., QC supervisor, pharma company 2025-02-10 Poziom 4/5
Co się stało:

Q1 audit: column cost +340% vs Q4. QA blamed the lab. Investigation: a new operator was using a 0.45 μm filter instead of 0.22 μm. Microparticles got through the guard and were killing the main columns by the 100th injection.

💡 Lekcja:

The filter SOP must be WRITTEN and checked every batch. 0.22 μm is the standard per USP . Cost of the error: 10 columns × 1800 PLN = 18,000 PLN + audit finding.

Bibliografia i odniesienia

[1]
Tuntiyasawasdikul S, Limpongsa E, Jaipakdee N, Sripanidkulchai B. (2018). Development and evaluation of topical films containing phytoestrogenic diaryheptanoids from Curcuma comosa extract.. Drug development and industrial pharmacy, 44, 1385-1394. https://doi.org/10.1080/03639045.2018.1453518.
DOI PubMed
[2]
Ahmad N, Ahmad R, Alam MA, Ahmad FJ, Amir M. (2018). Impact of ultrasonication techniques on the preparation of novel Amiloride-nanoemulsion used for intranasal delivery in the treatment of epilepsy.. Artificial cells, nanomedicine, and biotechnology, 46, S192-S207. https://doi.org/10.1080/21691401.2018.1489826.
DOI PubMed
[3]
Lim WM, Rajinikanth PS, Mallikarjun C, Kang YB. (2014). Formulation and delivery of itraconazole to the brain using a nanolipid carrier system.. International journal of nanomedicine, 9, 2117-26. https://doi.org/10.2147/IJN.S57565.
DOI PubMed
[4]
Fangueiro JF, Parra A, Silva AM, Egea MA, Souto EB, Garcia ML, Calpena AC. (2014). Validation of a high performance liquid chromatography method for the stabilization of epigallocatechin gallate.. International journal of pharmaceutics, 475, 181-90. https://doi.org/10.1016/j.ijpharm.2014.08.053.
DOI PubMed
[5]
Liu H, Li S, Wang Y, Yao H, Zhang Y. (2006). Effect of vehicles and enhancers on the topical delivery of cyclosporin A.. International journal of pharmaceutics, 311, 182-6. https://doi.org/10.1016/j.ijpharm.2005.12.029.
DOI PubMed

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🔄 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 111-90-0). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
Diethylene glycol monomethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Ethylene glycol dimethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Diethylene glycol dimethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Propylene glycol monomethyl ether (PM)
Ta sama kategoria · Ta sama kategoria produktu
Dipropylene glycol monomethyl ether
Ta sama kategoria · Ta sama kategoria produktu
📄 Certyfikaty Analiz (CoA) CAS 111-90-0 brak MolGod_COA_2

Brak certyfikatów dla tego produktu w bazie.

📚 Naukowe referencje (Chicago Author-Date) — kliknij aby rozwinąć

Standardy zarządzania batchami i certyfikacji laboratoryjnej — 13 niezależnych źródeł (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

  1. 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
  2. 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
  3. 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
  4. 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
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
  8. 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)
  9. 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 ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
  12. 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
  13. 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
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📜 Patenty (publiczne metadane) brak danych MolGod_PATENT_2

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📚 References (Chicago Author-Date) — click to expand
  1. Anonymous. 1979. "DIETHYLENE GLYCOL MONOETHYL ETHER." Monographs on Fragrance Raw Materials: 303-304. https://doi.org/10.1016/b978-0-08-023775-6.50217-4.
  2. Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_03_01.
  3. Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_20101_01.
  4. Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_02_01.
  5. Anonymous. "Hydrate Equilibrium Conditions for Water, Diethylene Glycol Monoethyl Ether Acetate, and Methane.". https://doi.org/10.1021/acs.jced.6b00642.s001.
  6. Musakhanian J, Osborne DW, Rodier JD. (2024). "Skin Penetration and Permeation Properties of Transcutol(®) in Complex Formulations.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-024-02886-8
  7. Kolipaka SS, Junqueira LA, Ross S et al.. (2024). "An Advanced Twin-Screw Granulation Technology: The use of Non-Volatile Solvents with High Solubilizing Capacity.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-024-02890-y
  8. Hashemzadeh N, Jouyban A. (2022). "Review of Pharmaceutical Applications of Diethylene Glycol Monoethyl Ether.". Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques. https://doi.org/10.18433/jpps32921
  9. Osborne DW, Musakhanian J. (2018). "Skin Penetration and Permeation Properties of Transcutol®-Neat or Diluted Mixtures.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-018-1196-8
  10. Sullivan DW Jr, Gad SC, Julien M. (2014). "A review of the nonclinical safety of Transcutol®, a highly purified form of diethylene glycol monoethyl ether (DEGEE) used as a pharmaceutical excipient.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2014.06.028
  11. (1997). "Reproductive toxicology. Diethylene glycol monoethyl ether.". Environmental health perspectives.
  12. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  13. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  14. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  15. 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.
  16. 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.
  17. 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.
  18. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  19. 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.
  20. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  21. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  22. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  23. 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/111-90-0?status=active&limit=10

Bibliografia (rozszerzona) (5)

  1. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 1979. "DIETHYLENE GLYCOL MONOETHYL ETHER." Monographs on Fragrance Raw Materials: 303-304. https://doi.org/10.1016/b978-0-08-023775-6.50217-4. link [dostep: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_03_01. link [dostep: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_20101_01. link [dostep: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_02_01. link [dostep: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Hydrate Equilibrium Conditions for Water, Diethylene Glycol Monoethyl Ether Acetate, and Methane.". https://doi.org/10.1021/acs.jced.6b00642.s001. link [dostep: 2026-09-23] CC0 (metadata)
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📚 REFERENCJE (Bibliografia zbiorcza, Chicago Author-Date) 120 items

Wszystkie źródła naukowe cytowane w akordeonach powyżej dla CAS 111-90-0. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Bazy danych naukowych

  1. NIST. n.d. NIST Chemistry WebBook: CAS 111-90-0. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=111-90-0.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 111-90-0. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. 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.
  4. PubChem. n.d. PubChem Compound Summary: CAS 111-90-0. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=111-90-0.

📐 Standardy / Wytyczne

  1. 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.
  2. 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.
  3. 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.
  4. 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.
  5. 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.
  6. 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.
  7. 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.
  8. 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.
  9. 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.

📖 Książki

  1. 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.
  2. 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.
  3. 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.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 Artykuły naukowe (peer-reviewed)

  1. 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.
  2. 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.

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