Was ist Dimethyl carbonate?

Dimethyl carbonate (CAS 616-38-6) ist eine chemische Verbindung mit der Summenformel C3H6O3 und einer Molmasse von 90.08 g/mol. Chemische Daten von PubChem (National Institutes of Health, USA).

Was ist die CAS-Nummer von Dimethyl carbonate?

Die CAS-Nummer (Chemical Abstracts Service) für Dimethyl carbonate ist 616-38-6.

Was ist die chemische Formel von Dimethyl carbonate?

Die Summenformel von Dimethyl carbonate ist C3H6O3. IUPAC-Name: dimethyl carbonate.

Wo kann man Dimethyl carbonate (CAS 616-38-6) kaufen?

Dimethyl carbonate (CAS 616-38-6) ist erhältlich im Shop Eapearl Chemical: https://epchems.online/products/dimethyl-carbonate/. Aktuelle Preis- und Verfügbarkeitsinformationen finden Sie auf der Produktseite.

Dimethyl carbonate

DMC

CAS 616-38-6 EC 210-478-4 C3H6O3 Ester CLP Danger

📄 Sicherheitsdatenblatt herunterladen (PDF)

MolGod_SDSCARD_1

REACH 2020/878

v2 · 22.09.2026

Specification

Product Name	Dimethyl carbonate
Other Names	DMC
CAS No.	616-38-6
EINECS No.	210-478-4
MF	C3H6O3
Molecular weight	90.08
Purity	99.90%
Appearance	Colorless transparent liquid
Density	1.069 g/mL at 20 °C
Melting point	0.5 °C (lit.)
Boiling point	90-91 °C
Flashing point	17 °C (closed cup)

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

European Chemicals Agency. "dimethyl carbonate, Index No. 607-013-00-6." 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.

Packaging and shipping

Drum220kg/225 kg

IBC Drum1000kg/1127 kg

ISO tank (20ft)24–26 m³

ISO tank (40ft)48–50 m³

Dimethyl Carbonate (DMC, CAS 616-38-6) is a versatile, eco-friendly organic compound widely recognized as a “green solvent” for its low toxicity and biodegradable properties. It serves as a crucial raw material in lithium-ion battery electrolytes, pharmaceutical synthesis, and chemical manufacturing, offering excellent solubility and reactivity.
With high purity grades (industrial, battery, and pharmaceutical), DMC acts as an efficient solvent for coatings, inks, and cleaning agents, replacing harmful traditional solvents. It also functions as a methylating and carbonylating agent in organic synthesis, supporting the production of polycarbonates, lubricants, and fine chemicals.
Backed by a stable supply chain and full compliance documentation, our DMC meets international quality standards, ensuring reliable performance across multiple industrial applications while aligning with global sustainability goals.

Dimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guarantee

Product Description

Dimethyl Carbonate (DMC, CAS 616-38-6) is a high-purity, eco-friendly organic compound known as a “green solvent” with low toxicity and excellent biodegradability.

It appears as a colorless transparent liquid with a molecular formula of C₃H₆O₃ and a molecular weight of 90.08, boasting a density of 1.069 g/mL at 20 °C, a melting point of 0.5 °C, a boiling point of 90-91 °C, and a flash point of 17 °C (closed cup). Widely used across industries, DMC serves as a critical raw material in lithium-ion battery electrolytes, providing high electrochemical stability and safety for energy storage systems.

It also acts as an efficient methylating and carbonylating agent in pharmaceutical and chemical synthesis, supporting the production of polycarbonates, lubricants, and fine chemicals while replacing harmful traditional solvents In coatings, inks, and cleaning products, DMC functions as a low-VOC solvent with strong dissolving power, reducing environmental impact and improving product performance. For usage, in battery manufacturing, it is typically blended with other carbonates (such as EC and EMC) to formulate electrolytes; in chemical synthesis, it is used under controlled temperature and pressure to avoid flammability risks;

in industrial cleaning, it is applied directly or diluted to remove stubborn residues without damaging substrates.

Our DMC is available in industrial, battery, and pharmaceutical grades, with stable supply chains and full compliance documentation, meeting international quality standards to ensure reliable performance in diverse applications while advancing global sustainability goals.

Dimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guarantee

Delivery&Payment method

Dimethyl Carbonate (DMC) Multi-functional Solution | Covers multiple industries such as coatings, cleaning, and battery electrolytes | Customizable parameters, stable supply chain guarantee

Frequently asked

In what packaging is Dimethyl carbonate shipped?

Standard formats are Drum (220kg/225 kg), IBC Drum (1000kg/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 Dimethyl carbonate?

Yes, on request. Safety data sheets are issued per grade and destination market; state the country of import in your inquiry.

What purity do you supply?

The standard grade is 99.90%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Dimethyl carbonate

Dimethyl dicarbonate: where it is used, and why

Which beverages are treated with dimethyl dicarbonate, what it turns into, and the dosing, handling and documentation the…

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Carbonate solvents for battery electrolyte: what matters

A lithium-ion electrolyte is a blend, not a solvent; the reason the blend exists is also the reason…

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Is dimethyl carbonate toxic? A buyer-level answer

Dimethyl carbonate is a low-toxicity ester with a fire hazard and a methanol question. Here is what the…

Article

Ethylene carbonate: two buyers, one drum

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Related products

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Daten transkribiert aus regulatorischen Registern und Fachliteratur, unter Angabe von Quelle und Ausgabe. Sie ersetzen nicht das Sicherheitsdatenblatt des Lieferanten. Felder ohne hinterlegte Quelle sind als solche gekennzeichnet.

📊 Physikochemische Daten — CAS 616-38-6MolGod_PROPHUB_MAIN

📊 Physikochemische Eigenschaften

Kurzübersicht

Formel: C₃H₆O₃

MW: 90.08 g/mol

CAS: 616-38-6

Aussehen: Farblose Flüssigkeit

Geruch: Angenehmer Geruch

Detaillierte Eigenschaften

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

Eigenschaft	Wert	Quelle
Flammpunkt	-0.6 °C (NFPA, 2010)	CAMEO Chemicals ↗
Dampfdruck	55.36 [mmHg]^[1]	Haz-Map, Information on Hazardous Chemicals and Occupational Diseases ↗
Viskosität (η)	0.664 mPa.s at 20 °C^[1]^[2]	Hazardous Substances Data Bank (HSDB) ↗
Brechungsindex (n_D)	Index of refraction: 1.3687^[1]^[2]	Hazardous Substances Data Bank (HSDB) ↗

🔬 Erweiterte Eigenschaften

Chemische Kennungen

SMILES: COC(=O)OC

InChI: InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3

InChIKey: IEJIGPNLZYLLBP-UHFFFAOYSA-N

Datenquellen: CAMEO Chemicals, Haz-Map, Information on Hazardous Chemicals and Occupational Diseases, Hazardous Substances Data Bank (HSDB)

Zuletzt aktualisiert: 2026-09-21

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (2 Quellen)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Dampfdruck · Viskosität (η) · Brechungsindex (nD)
NLM. Hazardous Substances Data Bank (HSDB). National Library of Medicine. ↗ dotyczy: Viskosität (η) · Brechungsindex (nD)

Eigenschaft	Wert	Einheit	Bedingungen	Quelle
Schmelzpunkt	0.5 ^[1]^[2]	°C	1 atm	No primary source
Siedepunkt	90.5 ^[1]^[2]	°C		No primary source
Wasserlöslichkeit	miscible	—	qualitative description (no numerical value)	No primary source
Dichte (ρ)	1.07 ^[2]	g/cm³		No primary source
logP (Octanol/Wasser)	0.5	—		No primary source

Chemische Übersicht: Dimethyl CarbonateMolGod_OVERVIEW_1

Summenformel	C₃H₆O₃^[1]
Molekulargewicht	90.08 g/mol^[1]
Schmelzpunkt	0.5 °C^[1]^[2]
Siedepunkt	90.5 °C^[1]^[2]
Dichte	1.07 g/cm³^[1]
LogP (Lipophilie)	0.5^[1]
IUPAC-Name	dimethyl carbonate^[1]
SMILES	`COC(=O)OC`^[1]
InChIKey	`IEJIGPNLZYLLBP-UHFFFAOYSA-N`^[1]

Synonyme: Dimethyl carbonate · 616-38-6 · Methyl carbonate · Carbonic acid, dimethyl ester · Methyl carbonate ((MeO)2CO)

Datenquellen: PubChem (NLM/NIH)
Zuletzt aktualisiert: 2026-09-21

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (2 Quellen)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Summenformel · Molekulargewicht · Schmelzpunkt · Siedepunkt · Dichte · LogP (Lipophilie) · IUPAC-Name · SMILES · InChIKey
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Schmelzpunkt · Siedepunkt

WISSENSCHAFTLICHE FORSCHUNG

[1]Europe PMC2026

Frustrated Lewis Pairs on Porous Ceria Nanorods Drive Low-Temperature Dimethyl Carbonate Hydrogenation to Methanol.

et al.. (2026). "Frustrated Lewis Pairs on Porous Ceria Nanorods Drive Low-Temperature Dimethyl Carbonate Hydrogenation to Methanol.". https://doi.org/10.1021/acsnano.5c19425

[2]Europe PMC2026

Br-Mediated Pd Catalysis Promotes Intermediates Stabilization and Coupling for Anodic Electrosynthesis of Dimethyl Carbonate.

et al.. (2026). "Br-Mediated Pd Catalysis Promotes Intermediates Stabilization and Coupling for Anodic Electrosynthesis of Dimethyl Carbonate.". https://doi.org/10.1002/anie.4274352

[3]Europe PMC2026

Exploring Dimethyl Carbonate as a Green and Efficient Solvent for Highly Regioselective Iodination of Arylboronic Acids.

et al.. (2026). "Exploring Dimethyl Carbonate as a Green and Efficient Solvent for Highly Regioselective Iodination of Arylboronic Acids.". https://doi.org/10.1021/acsomega.5c13454

[4]Europe PMC2026

Efficient Catalytic Ozonation of Dimethyl Carbonate on M‑Mn (M = Cr, Cu, Co)/ZSM‑5 Zeolites: Further Analysis of Reaction…

et al.. (2026). "Efficient Catalytic Ozonation of Dimethyl Carbonate on M‑Mn (M = Cr, Cu, Co)/ZSM‑5 Zeolites: Further Analysis of Reaction Mechanism.". https://doi.org/10.1021/acsomega.6c02229

[5]Doaj2026

Green reversed-phase liquid chromatography of CoQ10 and vitamin E using dimethyl carbonate as the mobile phase modifier

Mohamed A. Abdelaziz, Neil D. Danielson. (2026). "Green reversed-phase liquid chromatography of CoQ10 and vitamin E using dimethyl carbonate as the mobile phase modifier". Green Analytical Chemistry.

[6]Europe PMC2026

Dimethyl carbonate as a green solvent in ternary solvent systems for liquid chromatography: Investigation of miscibility limits and…

(2026). "Dimethyl carbonate as a green solvent in ternary solvent systems for liquid chromatography: Investigation of miscibility limits and mobile phase viscosities.". https://doi.org/10.1016/j.chrom

[7]Europe PMC2026

Tuning vacancy structures in metal-doped CeO2 nanorods to alter the reaction equilibrium of direct synthesis of dimethyl carbonate…

et al.. (2026). "Tuning vacancy structures in metal-doped CeO2 nanorods to alter the reaction equilibrium of direct synthesis of dimethyl carbonate from CO2 and methanol.". https://doi.org/10.1016/j.j

[8]Europe PMC2025

Greener and Whiter Analytical Procedure for Theobromine and Caffeine Determination in Tea Using Dimethyl Carbonate as an Extraction…

(2025). "Greener and Whiter Analytical Procedure for Theobromine and Caffeine Determination in Tea Using Dimethyl Carbonate as an Extraction Solvent and Mobile Phase Constituent in Reversed-Phase Liqu

📚 Wissenschaftliche Referenzen (Chicago Author-Date) 20 refs · 3 baz

MOLECULE Bibliografie pro CAS (live aus 13+ Datenbanken)

Quellen: db:Europe PMC (13) · db:doaj (3) · db:core (4)

db:Europe PMC et al.. (2026). "Frustrated Lewis Pairs on Porous Ceria Nanorods Drive Low-Temperature Dimethyl Carbonate Hydrogenation to Methanol.". https://doi.org/10.1021/acsnano.5c19425 →
db:Europe PMC et al.. (2026). "Br-Mediated Pd Catalysis Promotes Intermediates Stabilization and Coupling for Anodic Electrosynthesis of Dimethyl Carbonate.". https://doi.org/10.1002/anie.4274352 →
db:Europe PMC et al.. (2026). "Exploring Dimethyl Carbonate as a Green and Efficient Solvent for Highly Regioselective Iodination of Arylboronic Acids.". https://doi.org/10.1021/acsomega.5c13454 →
db:Europe PMC et al.. (2026). "Efficient Catalytic Ozonation of Dimethyl Carbonate on M‑Mn (M = Cr, Cu, Co)/ZSM‑5 Zeolites: Further Analysis of Reaction Mechanism.". https://doi.org/10.1021/acsomega.6c02229 →
db:doaj Mohamed A. Abdelaziz, Neil D. Danielson. (2026). "Green reversed-phase liquid chromatography of CoQ10 and vitamin E using dimethyl carbonate as the mobile phase modifier". Green Analytical Chemistry. https://doi.org/10.1016/j.greeac.2026.100380 →
db:Europe PMC (2026). "Dimethyl carbonate as a green solvent in ternary solvent systems for liquid chromatography: Investigation of miscibility limits and mobile phase viscosities.". https://doi.org/10.1016/j.chroma.2026.467318 →
db:Europe PMC et al.. (2026). "Tuning vacancy structures in metal-doped CeO2 nanorods to alter the reaction equilibrium of direct synthesis of dimethyl carbonate from CO2 and methanol.". https://doi.org/10.1016/j.jcis.2026.141303 →
db:Europe PMC (2025). "Greener and Whiter Analytical Procedure for Theobromine and Caffeine Determination in Tea Using Dimethyl Carbonate as an Extraction Solvent and Mobile Phase Constituent in Reversed-Phase Liquid Chromatography.". https://doi.org/10.1021/acsomega.4c11625 →
db:doaj You Wang, Jiyun Ren, Qing Guo et al.. (2025). "Spatially proximate In5 and In4+1···In4 on In2O3 enable efficient dimethyl carbonate synthesis from CO2 below 100 oC". Nano Research. https://doi.org/10.26599/NR.2025.94907553 →
db:Europe PMC et al.. (2025). "Indirect methanol synthesis from CO2 through high-efficient dimethyl carbonate hydrogenation as a bridge below 100°C.". https://doi.org/10.1038/s41467-025-65623-0 →
db:Europe PMC et al.. (2025). "Promoting Intermediate Stabilization and Coupling for Dimethyl Carbonate Electrosynthesis.". https://doi.org/10.1002/smll.202501780 →
db:Europe PMC et al.. (2025). "Functional poly(ionic liquid) with unique zwitterionic structure as efficient catalyst for the conversion of ethylene carbonate to dimethyl carbonate.". https://doi.org/10.1002/smo.20240046 →
db:Europe PMC et al.. (2025). "Adsorptive Separation, Interfacial Configuration, and Mechanism of Dimethyl Carbonate-Methanol Azeotrope onto α-Al2O3: Experimental and Molecular Simulations.". https://doi.org/10.1021/acsomega.4c10016 →
db:Europe PMC et al.. (2025). "Synergistic Effects of Poly(ionic liquids)@MOF-808 Nanocomposites for Direct Conversion of Carbon Dioxide into Dimethyl Carbonate.". https://doi.org/10.1021/acs.langmuir.5c04812 →
db:Europe PMC et al.. (2024). "Sustainable C-H Methylation Employing Dimethyl Carbonate.". https://doi.org/10.1021/acs.joc.4c01719 →
db:doaj Zhongwei Fu, Yunyun Zhong, Yuehong Yu et al.. (2018). "TiO2‑Doped CeO2 Nanorod Catalyst for Direct Conversion of CO2 and CH3OH to Dimethyl Carbonate: Catalytic Performance and Kinetic Study". ACS Omega. https://doi.org/10.1021/acsomega.7b01475 →
db:core Cui, Penglei, Wang, Xingxing, Zhang, Peng et al.. (2017). "Glycerol carbonate synthesis from glycerol and dimethyl carbonate using guanidine ionic liquids". Elsevier BV. https://doi.org/10.1016/j.cjche.2017.06.025 →
db:core Shi, Wei-Jie, Guo, Hao, Li, Wen-Juan et al.. (2015). "N-heterocyclic carbene catalyzed synthesis of dimethyl carbonate via transesterification of ethylene carbonate with methanol". Springer. https://doi.org/10.1016/j.jscs.2014.03.003 →
db:core Liu, Hongwei, Ke, Xuebin, Zheng, Zhanfeng et al.. (2014). "TiO2 nanofibers of different crystal phases for transesterification of alcohols with dimethyl carbonate". Elsevier. https://doi.org/10.1016/j.apcatb.2013.12.035 →
db:core Saka, Shiro, Ilham, Zul. (2012). "Optimization of supercritical dimethyl carbonate method for biodiesel production". Elsevier Ltd.. https://doi.org/10.1016/j.fuel.2012.02.066 →

Regulatorischer Status der Substanz

Diese Substanz unterliegt regulatorischen Anforderungen: Bewirtschaftung gefährlicher Abfälle (BDO-Register). Details im Abschnitt "Regulatorischer Status (REACH/ECHA/CLP)" und im SDS. Regulatorische Information — schränkt den Kauf in diesem Shop nicht ein.

🧮 Stöchiometrie-RechnerMolGod_STOICH_1

🧪 Chemische DatenMolGod_CHEMDATA_1

CAS-Nummer: 616-38-6
Summenformel: C3H6O3
Molmasse: 90.08 g/mol
IUPAC-Name (EN): dimethyl carbonate
SMILES: COC(=O)OC
InChIKey: IEJIGPNLZYLLBP-UHFFFAOYSA-N

📚 Literatura naukowa (20 Artikel)MolGod_LITSCI_1

🔓

Greener and Whiter Analytical Procedure for Theobromine and Caffeine Determination in Tea Using Dimethyl Carbonate as an Extraction Solvent and Mobile Phase Constituent in Reversed-Phase Liquid Chromatography. 6 citations

(2025)

DOI ↗PubMed ↗PDF ↗

🔓

Spatially proximate In5 and In4+1···In4 on In2O3 enable efficient dimethyl carbonate synthesis from CO2 below 100 oC 4 citations

You Wang, Jiyun Ren, Qing Guo et al. · (2025) · Nano Research

DOI ↗PDF ↗

🔓

TiO2‑Doped CeO2 Nanorod Catalyst for Direct Conversion of CO2 and CH3OH to Dimethyl Carbonate: Catalytic Performance and Kinetic Study 121 citations

Zhongwei Fu, Yunyun Zhong, Yuehong Yu et al. · (2018) · ACS Omega

DOI ↗PDF ↗

🔓

Indirect methanol synthesis from CO<sub>2</sub> through high-efficient dimethyl carbonate hydrogenation as a bridge below 100°C. 3 citations

et al. · (2025)

DOI ↗PubMed ↗PDF ↗

🔓

Promoting Intermediate Stabilization and Coupling for Dimethyl Carbonate Electrosynthesis. 3 citations

et al. · (2025)

DOI ↗PubMed ↗PDF ↗

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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: 90.4
Temp. topnienia: -5.6
Density: 1.065

Source: PubChem, NIST WebBook. Last updated: 2026-09-21

🔍 Externe IdentifikatorenMolGod_EXTID_1

12 von 16 ID-Systemen75%

Datenbank	Identifikator	Aktionen
CAS Registry Number	616-38-6	Öffnen →
PubChem CID	12021^[1]	Öffnen →
InChIKey	IEJIGPNLZYLLBP-UHFFFAOYSA-N^[1]	Öffnen →
InChI	InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3^[1]
SMILES	COC(=O)OC^[1]
EC Number	210-478-4^[2]	Öffnen →
ChEMBL	CHEMBL3185216^[3]	Öffnen →
HMDB	HMDB0029580	Öffnen →
ChemSpider	11526^[4]	Öffnen →
UNII (FDA)	KE9J097SPN	Öffnen →
NSC Number (NCI)	9371	Öffnen →
WikiData QID	Q416254	Öffnen →

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

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (4 Quellen)

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 (erweitert) (6)

★★★★★ CANONICAL_PAPERS 💰 Paywall (wahrsch.) ✓ verifiziert Funakawa A; Yamanaka I; Takenaka S et al.. 2004. "Selectivity control of carbonylation of methanol to dimethyl oxalate and dimethyl carbonate over gold anode by electrochemical potential." Journal of the American Chemical Society. Link [abgerufen: 2026-11-07]
★★★★½ CANONICAL_PAPERS 💰 Paywall (wahrsch.) ✓ verifiziert Shinde SD; Narang G; Mahajan GM et al.. 2024. "Sustainable C-H Methylation Employing Dimethyl Carbonate." The Journal of organic chemistry. Link [abgerufen: 2026-11-07]
★★★★☆ CANONICAL_PAPERS 💰 Paywall (wahrsch.) ✓ verifiziert Tundo P; Selva M. 2002. "The chemistry of dimethyl carbonate." Accounts of chemical research. Link [abgerufen: 2026-11-07]
★★★★☆ OPENLIBRARY 🔓 OFFEN Pietro Tundo. 2013. "Chemistry of Dimethyl Carbonate and Its Derivatives." Wiley & Sons, Incorporated, John. Link [abgerufen: 2026-11-03] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate and Dipropyl Carbonate.". https://doi.org/10.1021/acs.jced.7b00295.s001. Link [abgerufen: 2026-09-21]
★☆☆☆☆ CANONICAL_PAPERS ❓ ? ✓ verifiziert Folprechtová D; Seibert E; Schmid MG et al.. 2024. "Advantages of dimethyl carbonate as organic modifier for enantioseparation of novel psychoactive substances in sub/supercritical fluid chromatography." Analytica chimica acta. Link [abgerufen: 2026-11-07]

📡 Spektroskopie — CAS 616-38-6MolGod_SPECHUB_MAIN

📊 Spektren (NMR, IR, MS, UV-Vis) (1)

Verfügbare Spektrentypen: IR

IR-Spektrum (KBr, 4000-400 cm⁻¹)

440 Datenpunkte · Quelle: NIST WebBook · NIST ↗ · 📥 JCAMP-DX

🎓 Leitfaden zur Spektreninterpretation (für Studierende)

Wie man ein IR-Spektrum liest

3200-3600 cm⁻¹ — O-H-Streckschwingung (breiter Peak = Wasserstoffbrücke)
2850-3000 cm⁻¹ — C-H-Streckschwingung (sp³)
1650-1750 cm⁻¹ — C=O-Streckschwingung (Ketone, Aldehyde, Ester)
1400-1600 cm⁻¹ — Schwingungen des aromatischen Rings
1000-1300 cm⁻¹ — C-O-Streckschwingung (Ether, Alkohole)
Keine Absorption = keine funktionelle Gruppe → mit einer Referenz vergleichen

Quellen: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (7 Quellen)

National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
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 ↗]
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 ↗]
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. ↗
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 ↗]
PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗

Strukturelle EigenschaftenMolGod_STRUCT3D_1

Strukturdaten werden geladen...

❓ Häufig gestellte Fragen (3)MolGod_FAQ_1

What is 616-38-6?

616-38-6 (CAS 616-38-6) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

Hilfreich?

What is the CAS number of 616-38-6?

The CAS number for 616-38-6 is 616-38-6. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

Hilfreich?

How should 616-38-6 be stored?

616-38-6 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.

Hilfreich?

➕ Frage vorschlagen

Strukturdateien herunterladenMolGod_STRDL_1

Molekülstrukturdateien aus der PubChem-Datenbank (NIH). Kompatibel mit Avogadro, PyMOL, Jmol und ChemDraw.

📄 .SDF 📄 .MOL 📈 3D JSON 🌐 Weitere Formate (PubChem)

Quelle: PubChem, National Library of Medicine (NIH). CID: 12021

🔄 Umrechner für Konzentrationseinheiten LIVE MolGod_UNITCONV_1

Geben Sie die Konzentration Dimethyl Carbonate in einer beliebigen Einheit ein — der Rest wird automatisch berechnet.

MW: 90.08 g/mol · IUPAC Gold Book ↗

⚗️ Umrechnungsformeln + Zitate (pro Formel)

Umrechnung	Formel	Genauigkeit	Quelle
% (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)

📚 Bibliographie (8 autoritative Quellen)

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

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🛡️ Sicherheit — CAS 616-38-6MolGod_SAFEHUB_MAIN

Hinweis zu Datenbeschränkungen. Die Sicherheitsinformationen auf dieser Seite dienen nur zur Information und ersetzen kein vollständiges Sicherheitsdatenblatt (SDS). Konsultieren Sie vor der Verwendung des Produkts das aktuelle Sicherheitsdatenblatt des Herstellers sowie die GHS/CLP-Leitlinien. Die CLP-Einstufung bezieht sich auf die reine Bulk-Substanz, nicht auf handelsübliche Zubereitungen.

GHS/CLP-Einstufung — Verordnung (EG) Nr. 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Gefahr (Danger)

GHS02 Entzündbar

🚨 Gefahrenhinweise (H)

H225 — Flüssigkeit und Dampf leicht entzündbar.

🛡 Sicherheitshinweise (P)

P210 — Von Hitze, heißen Oberflächen, Funken, offenen Flammen und anderen Zündquellenarten fernhalten. Nicht rauchen.
P203 — Vor Gebrauch alle Sicherheitshinweise einholen, lesen und befolgen.

✓ Harmonisierte Einstufung gemäß Anhang VI der CLP-Verordnung (EG) 1272/2008 (amtliche, verbindliche Einstufung). Indexnummer: 607-013-00-6.

Referenz (Chicago): European Chemicals Agency. "dimethyl carbonate, Index No. 607-013-00-6." 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.

Übersetzungen: CLP-Verordnung (EG) 1272/2008, Anhang III und IV. Daten: PubChem/NLM.

♻️ Entsorgung chemischer Abfälle Entzündbar

📋 EWC-Code (Europäischer Abfallkatalog):
16 05 06* Labor- und Analysechemikalien (Reagenzien) mit gefährlichen Stoffen

Ein Code mit Sternchen (*) = gefährlicher Abfall, der eine BDO-Registrierung + ein Transportprotokoll (Abfallübergabeschein) erfordert.

🌍 Umweltgefährdung: NEIN

💧 Risiko der Wasserkontamination: JA

🌱 Risiko der Bodenkontamination: NEIN

🚫 NICHT in die Kanalisation: JA

⚠️ Large spill — HAZMAT response: JA

📚 Wissenschaftliche Referenzen (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-stellige EWC-Codes + Sternchen für gefährlich
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 ↗] — Polnischer Abfallkatalog — Umsetzung der Entscheidung 2014/955/EU
Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych. Ministerstwo Klimatu i Środowiska. [link ↗] — Zentrales BDO-Register — vollständige Liste der zur Abfallwirtschaft befugten Unternehmen
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 ↗] — Nationales Gesetz — definiert die Pflichten des Abfallerzeugers + Registrierung in der polnischen Abfalldatenbank (BDO)
Furr, A. Keith, ed.. 2000. CRC Handbook of Laboratory Safety. CRC Press. — Klassifizierung von Laborabfällen + Trennverfahren (Kapitel Waste Management); EN 374:2013 Handschuhstandards für Personen, die mit gefährlichen Abfällen umgehen.
Pohanish, Richard P.. 2017. Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. Elsevier. — Abfallklassifizierung pro CAS + Unverträglichkeiten — Eingabe für das EWC-Mapping.
Lewis, Richard J.. 2012. Sax's Dangerous Properties of Industrial Materials. Wiley. — Reaktivität + Lagerverträglichkeit von Abfällen (Oxidationsmittel vs. brennbare Stoffe — getrennte Ströme).
NIOSH. 2024. Pocket Guide to Chemical Hazards. U.S. Department of Health and Human Services. [link ↗] — PEL/REL/IDLH pro CAS — Grundlage für die beim Abfalltransport erforderliche PSA (KPO — Abfallübergabeschein).
OSHA. 2024. Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER). Occupational Safety and Health Administration. [link ↗] — 29 CFR 1910.120 — Schulungen + PSA für den Umgang mit gefährlichen Abfällen.
European Parliament and Council. 2008. Directive 2008/98/EC on waste (Waste Framework Directive). Official Journal of the European Union L 312/3. [link ↗] — Abfallhierarchie (Vermeidung → Verwertung → Beseitigung); definiert "gefährlichen Abfall".
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-Klassifizierung von H-Sätzen → Mapping auf EWC * (Sternchen = gefährlich).
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025). UNECE. [link ↗] — ADR — Anforderungen an den Transport gefährlicher Abfälle (KPO — Abfallübergabeschein + UN-Nummer + Klassen 1–9).
IPCS INCHEM. 2024. International Programme on Chemical Safety — Waste Management Guidelines. WHO/UNEP/ILO. [link ↗] — Internationale Leitlinien zur Neutralisation + Entsorgung pro 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 ↗] — Grenzüberschreitende Verbringung gefährlicher Abfälle — Notifizierungs- + Zustimmungspflichten vor dem Export

📋 Regulatorische Konformität (Compliance-Checkliste) Entzündbar 1 erforderlich 7 Positionen

ℹ️ Checkliste der regulatorischen Pflichten für CAS 616-38-6. Status basierend auf: ADR 2025 (Tabelle A), REACH Anhang XVII, CLP Anhang VI (harmonisierte Einstufung), Gefahrenklasse aus der m14-spill-DB, SVHC, GIS und der polnischen NDS-Liste. Grundsatz: keine Daten = keine Aussage (wir erklären NICHT "keine Beschränkungen" ohne Grundlage).

✅ SDS (Sicherheitsdatenblatt) verfügbar erfüllt

So gewährleisten Sie die Konformität: Anforderung: aktuelles SDB gemäß Verordnung 1907/2006 (REACH) Anhang II, 16-Abschnitte-Format.

Rechtsgrundlage: Regulation (EC) 1907/2006 (REACH) Art. 31 + Annex II
📎 Quelle / Formular ↗
▣ Konformes CLP-Etikett (Piktogramme + Signalwort + H/P) erforderlich

So gewährleisten Sie die Konformität: Das Etikett muss enthalten: GHS-Piktogramme, das Signalwort (Gefahr/Achtung), H-Sätze (Gefahrenhinweise) und P-Sätze (Sicherheitshinweise), Herstellerangaben. Erforderlich seit 2010 (Stoffe) und 2015 (Gemische). Für diese Substanz gilt eine HARMONISIERTE EINSTUFUNG (CLP Anhang VI) — siehe unten; sie hat Vorrang vor der Selbsteinstufung.

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

Harmonisierte Einstufung (CLP Anhang VI): Flam. Liq. 2 — H225 · Index 607-013-00-6
📎 Quelle / Formular ↗
❓ ADR-Transport (internationales Übereinkommen) zu überprüfen

So gewährleisten Sie die Konformität: Keine ADR-Daten im MOL-GOD-Datensatz für diese CAS-Nummer. Nehmen Sie NICHT an, dass keine Beschränkungen bestehen — überprüfen Sie vor dem Versand die Transporteinstufung in ADR 2025 (Tabelle A) und in Abschnitt 14 des Sicherheitsdatenblatts (SDS).

Rechtsgrundlage: European Agreement ADR 2025 + Act of 19 August 2011 on the transport of dangerous goods
📎 Quelle / Formular ↗
🔵 REACH-Registrierung (>1 t/Jahr EU-Import) bedingt

So gewährleisten Sie die Konformität: Importeure/Hersteller ab ≥1 Tonne/Jahr müssen die Substanz bei der ECHA registrieren (technisches Dossier + Chemical Safety Report bei ≥10 t). Prüfen Sie die ECHA Annex VI / registered substances list.

Rechtsgrundlage: Regulation (EC) 1907/2006 (REACH) Art. 5-22
📎 Quelle / Formular ↗
❓ SVHC-Meldung (besonders besorgniserregende Stoffe) zu überprüfen

So gewährleisten Sie die Konformität: SVHC-Status anhand des verfügbaren Datenbestands nicht überprüft — die aktuelle ECHA-Kandidatenliste prüfen; das Fehlen eines Eintrags nicht voraussetzen.

Rechtsgrundlage: REACH Art. 7(2) + 33 — SVHC notification + communication
📎 Quelle / Formular ↗
❓ REACH Anhang XIV (Zulassungsliste) zu überprüfen

So gewährleisten Sie die Konformität: Nicht gegen die ECHA-Zulassungsliste verifiziert — REACH Anhang XIV prüfen.

Rechtsgrundlage: Regulation (EC) 1907/2006 (REACH) Annex XIV — authorisation
📎 Quelle / Formular ↗
⚪ REACH Anhang XVII (Verwendungs-/Vermarktungsbeschränkungen) nicht zutreffend

So gewährleisten Sie die Konformität: 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.

Rechtsgrundlage: Regulation (EC) 1907/2006 (REACH) Annex XVII — restrictions on manufacture/placing on the market/use
📎 Quelle / Formular ↗

📚 Wissenschaftliche Referenzen (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 ↗] — Einstufung, Kennzeichnung und Verpackung von Stoffen + Gemischen (GHS-Umsetzung in der 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 — Registrierung, Bewertung und Zulassung von Chemikalien; SVHC; SDS Anhang 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 ↗] — NDS und NDSCh für ~600 chemische Substanzen — aktuelle polnische Arbeitsplatzgrenzwerte
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 ↗] — Internationales Übereinkommen über den Straßentransport gefährlicher Güter — UN-Nummern, Klassen, Verpackungen

📚 Konsolidierte wissenschaftliche Referenzen — Chicago Author-Date 10 Quellen

Referenzen aus allen Safety-Hub-Registerkarten gesammelt. CAS: 616-38-6 · 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, Vorschriften
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

Registerkarten mit eigenen Referenzen (Emergency, PPE, Storage, Waste) enthalten zusätzliche bibliografische Einträge in ihren jeweiligen Abschnitten.

📈 Analytische Statistik (t-Test · RSD · Grubbs · Q-Dixon) ICH Q2

Fügen Sie eine Serie von Messwiederholungen ein (CSV oder eine Zahl pro Zeile). Der Rechner berechnet Mittelwert, Standardabweichung und 95% CI und erkennt Ausreißer (Grubbs + Dixon Q).

Messergebnisse:

Trennzeichen: Komma, Leerzeichen, Tab, Zeilenumbruch. Min. 3 Messungen.

📐 Statistische Formeln

x̄ = Σxᵢ / n — arithmetisches Mittel
s² = Σ(xᵢ - x̄)² / (n-1) — Stichprobenvarianz
s = √s² — Standardabweichung
RSD% = (s / x̄) × 100% — relative Standardabweichung
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

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

🧪 Puffer-Rezept-Rechner EINZIGARTIG

Wählen Sie einen Puffer aus der Liste von 20 gängigen Systemen → geben Sie den Ziel-pH-Wert ein → Sie erhalten ein exaktes Rezept mit den einzuwiegenden Massen.

Schritt 1: Puffersystem wählen

📜 Rezeptverlauf (letzte 10)

Pharmakologischer Status

Prekliniczny

Phase I

Phase II

Phase III

Zugelassen

Präklinisch — keine Daten aus Studien am Menschen.

ChEMBL CHEMBL3185216 ↗

Bibliografie (erweitert) (2)

★★★★☆ OPENLIBRARY 🔓 OFFEN Pietro Tundo. 2013. "Chemistry of Dimethyl Carbonate and Its Derivatives." Wiley & Sons, Incorporated, John. Link [abgerufen: 2026-11-03] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate and Dipropyl Carbonate.". https://doi.org/10.1021/acs.jced.7b00295.s001. Link [abgerufen: 2026-09-21]

🚚 Transportklassifizierung (ADR / IATA / IMDG) UN 1161

UN-Nummer

UN 1161

UN-Nummer gemäß angegebener Quelle. Transportklasse und Verpackungsgruppe vor dem Versand in ADR Tabelle A / UN-Modellvorschriften prüfen. Sugerowana z klasyfikacji GHS — WYMAGA WERYFIKACJI.

Quelle: Karta SDS sek.14 (kanon zmaterializowany)

🛣️ ADR Straßentransport

Klasse:
Verpackungsgruppe:
Versandbezeichnung:

Quellen: ADR 2025 ↗ · IATA DGR ↗ · IMDG Code ↗

📅 Project Planner — Manager für Laborexperimente NEU

Planen Sie Ihr gesamtes Laborprojekt: Fügen Sie Experimente mit Reagenzien, Wiederholungen und Dauer hinzu. Sie erhalten ein Gantt-Diagramm, eine Einkaufsliste (mit Links zum Shop!), ein Budget mit 10% Reserve und eine GHS-Risikomatrix.

🧪 Löslichkeit und Lösungsmittelkompatibilität MolGod_SOLUB_1

Molekül

Dimethyl Carbonate

Formel

C3H6O3

logP (XLogP3)

0.50

Masse (g/mol)

90.08

Polarität

Mäßig

⚠️ GC-Schätzung (Hoftyzer–Van Krevelen). Keine HSP-Literaturdaten für diese CAS — Genauigkeit ±2 MPa½. Experimentell verifizieren.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 8..

Lösungsmittel	Compat.	Ra	Visuell	GC-MS	HPLC	Anwendungen	Referenzen
Water (H₂O)	miscible	—		✗ Nie	A (aqueous) (RP)	buffercell cultureanalyticalextraction (hydrophilic)	Hansen (2007) ↗NIST ↗CRC ↗IAPWS ↗Reichardt 2011 ↗GESTIS ↗
Ethanol (EtOH)	—	—	brak podstawy	✗ Nie	A/B modifier (RP/NP)	extractionspectroscopy (UV-Vis)synthesisHPLC modifier	Hansen (2007) ↗NIST ↗CRC ↗Snyder & Kirkland ↗Smallwood ↗GESTIS ↗
Methanol (MeOH)	—	—	brak podstawy	✗ Nie	A/B (RP) (RP)	HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm	Snyder & Kirkland ↗NIST ↗CRC ↗Snyder & Kirkland ↗GESTIS ↗
Acetone	—	—	brak podstawy	✗ Nie	B modifier (NP)	GC headspacecrystallisationdegreasingsynthesis	Reichardt (2011) ↗NIST ↗CRC ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
Acetonitrile (ACN)	—	—	brak podstawy	✗ 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	—	—	brak podstawy	✗ Nie	N/A (N/A)	NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis	Wypych, G. ↗NIST ↗Wypych 2019 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
THF	—	—	brak podstawy	✗ Nie	B (NP) (NP)	GPC/SEC (polymer analysis)Grignard synthesisorganometallics	Armarego (2009) ↗NIST ↗Armarego 2009 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
DCM (CH₂Cl₂)	—	—	brak podstawy	✓ Tak	B (NP) (NP)	extractionNP-HPLCGC-MScrystallisation (anti-solvent)	NIST WebBook ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Chloroform (CHCl₃)	—	—	brak podstawy	✓ 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	—	—	brak podstawy	✓ Tak	A (NP) (NP)	NP-HPLCoil extraction (lipids)GC-MSTLC (NP)	Dass, C. (2011) ↗NIST ↗ATSDR n-Hexane ↗Hansen 2007 ↗Snyder & Kirkland ↗GESTIS ↗
Toluene	—	—	brak podstawy	✓ Tak	B (NP) (NP)	NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)	GESTIS DGUV ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗

Quellen: PubChem (NIH) · Hansen Solubility Database

📚 Wissenschaftliche Referenzen für Lösungsmittel (Chicago Author-Date) — zum Aufklappen klicken

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

Löslichkeitstheorie (angewendet in der Verträglichkeitsvorhersage):

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-Triplett (dD, dP, dH) + Ra-Formel.
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 — Vollständige tabellarische Sammlung von 250+ Lösungsmitteln (ε, μ, Donizität, Akzeptorzahlen).
PubChem Compound Database — CAS 616-38-6 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Vollständige Bibliografie im Akkordeon REFERENZEN (am Ende der Seite) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Reaktionskompatibilität prüfen MolGod_RXNCOMP_1

Gesundheit: 0/4

Entflammbarkeit: 3/4

Reaktivität: 0/4

Gemäß NFPA 704 / berechnet aus H-Sätzen

Prüfen Sie, ob Dimethyl Carbonate mit einem anderen Reagenz verträglich ist

📦 Lagerverträglichkeitsmatrix

	Acids	Regeln	Oxidationsmittel	Entzündbar	Giftig	Gazy
Acids	✓	✗	✗	✗	⚠	✗
Regeln	✗	✓	⚠	⚠	⚠	⚠
Oxidationsmittel	✗	⚠	✓	✗	⚠	✗
Entzündbar	✗	⚠	✗	✓	⚠	✗
Giftig	⚠	⚠	⚠	⚠	✓	⚠
Gazy	✗	⚠	✗	✗	⚠	✓

✓ Gemeinsame Lagerung möglich · ⚠ Vorsicht · ✗ NICHT zusammen lagern · OSHA Chemical Segregation ↗

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

🧮 Laborrechner (8) MolGod_LABCALC_1

Verdünnung (C₁V₁=C₂V₂)

IUPAC Gold Book ↗

Molarität (M=n/V)

IUPAC Gold Book ↗

pH-Puffer (Henderson-Hasselbalch)

IUPAC Gold Book ↗

Beer-Lambert (A=εcl)

IUPAC Gold Book ↗

Masse → Mol

IUPAC Gold Book ↗

Konzentration % → M

IUPAC Gold Book ↗

ppm → mg/L

Temperatur C↔F↔K

Verifizierte Formeln: IUPAC Gold Book ↗, DOI ↗

📊 Spektroskopische Spektrendatenbanken 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 ↗

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Volumen (mL)

Initialen

Protokoll erstellt auf Grundlage von: GHS SDS, Aldrich Lab Guide ↗

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Konzentration

Herstellungsdatum

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Deskryptory Lipinskiego (struktura)

ADMET-Vorhersagen werden geladen…

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📚 Überblick über die wissenschaftliche Literatur — CAS 616-38-6MolGod_LITHUB_MAIN

⭐ Wichtigste Erkenntnisse (wissenschaftliche Literatur) 5 Publikationen

🏆 CAS 616-38-6 — multi-criteria ranking (W12): 30% Zitierungen · 20% Aktualität · 20% Thema · 15% historisch · 15% Open Access.

#1

Co-Production of Dimethyl Carbonate, Dimethoxymethane and Dimethyl Ether from Methanol: Process Design and Exergy Analysis.

Zhang S; Ding X; Shang H et al. (2022) · Entropy (Basel, Switzerland)

Warum es wichtig ist: Pflichtzitat (Kanon)

SCORE 4.4 Industrie MUST-CITE DOI ↗
#2

Advantages of dimethyl carbonate as organic modifier for enantioseparation of novel psychoactive substances in sub/supercritical fluid chromatography.

Folprechtová D; Seibert E; Schmid MG et al. (2024) · Analytica chimica acta

Warum es wichtig ist: Pflichtzitat (Kanon) · aktuell (2024)

SCORE 4 Analytik MUST-CITE DOI ↗
#3

Sustainable C-H Methylation Employing Dimethyl Carbonate.

Shinde SD; Narang G; Mahajan GM et al. (2024) · The Journal of organic chemistry

Warum es wichtig ist: Pflichtzitat (Kanon) · aktuell (2024) · Übersichtsarbeit

SCORE 4 Übersicht MUST-CITE DOI ↗
#4

The chemistry of dimethyl carbonate.

Tundo P; Selva M (2002) · Accounts of chemical research

Warum es wichtig ist: Pflichtzitat (Kanon) · Übersichtsarbeit

SCORE 0.8 Übersicht MUST-CITE DOI ↗
#5

Selectivity control of carbonylation of methanol to dimethyl oxalate and dimethyl carbonate over gold anode by electrochemical potential.

Funakawa A; Yamanaka I; Takenaka S et al. (2004) · Journal of the American Chemical Society

Warum es wichtig ist: Pflichtzitat (Kanon)

SCORE 0 Mechanismus MUST-CITE DOI ↗

Tag	TF	DF	IDF	Score
methanol	13	9	1.742	22.645
synthesis	11	7	1.965	21.616
liquid chromatography	5	3	2.658	18.608
solvent	6	3	2.658	15.949
transesterification	6	4	2.435	14.611
green	6	4	2.435	14.611
efficient	6	5	2.253	13.517
reaction	6	5	2.253	13.517
direct	5	3	2.658	13.291
ionic liquids	3	2	2.946	12.373

🔬 HPLC — Methoden und Parameter — CAS 616-38-6MolGod_HPLCHUB_MAIN

📈 HPLC-Gradient — Optimierer (LSS) VORLAGE

Gradient basierend auf PubChem XLogP3 + LSS (Snyder et al. 2010, Kap. 9).

Säule: C18
Puffer: phosphate
Fluss: 1 mL/min
logP: 0.5 (PubChem XLogP3)
Rampe: 9% → 95% B, 10 min
Gesamtanalysenzeit: 23 min

t (min)	%A	%B	flow (mL/min)	Kommentar
0	91	9	1	Start (Gleichgewicht)
2	91	9	1	Ende der Anfangshaltezeit
12	5	95	1	Ende der LSS-Rampe
17	5	95	1	Säulenspülung
18	91	9	1	Rückkehr zu init
23	91	9	1	Reäquilibrierung

📚 Wissenschaftliche Referenzen (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/616-38-6

📐 Säulenabmessungen — van-Deemter-Rechner N=12,466

Formel: 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).

Abmessungen	150 × 4.6 mm, 5 µm
Theoretische Böden (N)	12,466
N bei u_opt	12,500
HETP (aktuell)	12.032 µm
Min. HETP	12 µm
Lineare Geschwindigkeit (u)	0.1003 cm/s
u_opt (van Deemter)	0.12 cm/s
Gegendruck (ΔP)	42.1 bar
Analysenzeit (Totvolumen)	2.49 min

📚 Wissenschaftliche Referenzen (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/616-38-6

🧪 Mobile Phase — Kompatibilitätsmatrix MISCHBAR

Komponente	Name	UV-Cutoff (nm)	P'	Detektoren
Lösm.	Acetonitrile (MeCN)	190	5.8	UV, MS, ELSD, RID, FLD
Lösm.	Water	190	10.2	UV, MS, ELSD, RID, FLD
Puffer	Phosphate (KH2PO4 / K2HPO4)	195	pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5	MS ✗

Detector: UV — mit beiden Lösungsmitteln kompatibel.

📚 Wissenschaftliche Referenzen (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=...

Parameter	Wert	Einheit	ICH-Q2-Kriterium	Status
Linearität (R²)	keine Daten	unitless	R² ≥ 0.999 (≥0.99 für bioanalytische)	—
LOD (S/N = 3:1)	keine Daten	ng/mL	S/N ≥ 3:1 (niedrigste nachweisbare Konzentration)	—
LOQ (S/N = 10:1)	keine Daten	ng/mL	S/N ≥ 10:1 (LOQ ≥ 3×LOD typischerweise)	—
Präzision (RSD intraday, n=6)	keine Daten	% RSD	RSD ≤ 2% (intraday) / ≤ 3% (interday) für den API	—
Richtigkeit (Wiederfindung, 3 Niveaus)	keine Daten	% (target 100±2%)	Recovery 98-102% (target 100%)	—
Linearitätsbereich	keine Daten	z. B. 0.1-100 ng/mL	Mind. 80-120% der Nominalkonzentration	—
Selektivität/Spezifität	keine Daten	qualitative	Keine Interferenz — Analyt-Peak vollständig aufgelöst (Rs ≥ 2.0)	—
Robustheit (Robustness)	keine Daten	RSD < 2% bei ±5% Variation	RSD < 2% bei kleinen Parametervariationen	—

Vollständiger HPLC-Methodenleitfaden Fachlich begutachtet

Molekülspezifische Szenarien, Fehlerbehebung und Literaturhinweise

Molecular Predictor

The predicted parameters for this molecule (CAS 616-38-6) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

2.45 min

Range: 1.72 – 3.19

confidence: low

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

= 5.551 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. Auswahl der mobilen Phase Lösungsmittel, Reinheitsgrade, Einkaufsliste

Echtes Chemiker-Problem

First column connection — no leak

A C18 100×4.6 mm column straight out of the box. How to connect it without dismantling it and spilling ACN over the autosampler?

So lösen wir das

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

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

Consumption Calculator

Anzahl der Proben:

Flow Rate (mL/min):

Runtime (min):

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

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Interaktiver Rechner

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Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
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Deep Education

Die Chemie der mobilen Phase verstehen

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: —

Häufig gestellte Fragen

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

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

Dla dimethyl carbonate (logP=0.5) — ACN czy MeOH? +

Dla logP=0.5 rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=90.08, CAS 616-38-6) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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

2. Gradientenoptimierung Timeline, slope, retention control

Gradient Problem From The Lab

Peak tailing ruined my results

I ran the method exactly as written. Main peak Tf = 2.8 (should be <1.5). Integration impossible. I repeated it 6× — always tailing.

Lesson learned (Anna K., PhD student, Warszawa, 2024-03):
Causes: (1) buffer pH 8.2 instead of 7.0, (2) 2-month-old buffer (bacteria!), (3) C8 column instead of C18. Fix: fresh buffer pH 7.0 + switch to C18 → Tf 1.2, Rs 1.9→2.3.

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.

Häufig gestellte Fragen

Jakie Rt przewidywane dla dimethyl carbonate na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla dimethyl carbonate (logP=0.5) → szacunkowe Rt=2.45 min. ±30% wariancja zależnie od dead volume i gradient slope. Walidacja: wstrzyknij standard 10 μg/mL, zmierz Rt rzeczywisty, dostosuj gradient.

Source: Predictive modeling

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

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. Säulenauswahl C18, particle size, dimensions

Column Choice Dilemma

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.

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

Häufig gestellte Fragen

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

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

Dla MW=90.08 — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW=90.08 (CAS 616-38-6) use a standard C18 100 Å column.

Source: Phenomenex Guide

4. Detektionseinstellungen UV wavelength, bandwidth, response

Detection Gotcha

What is „system suitability" and do I have to do it?

The teacher said „run an SST". You have no idea what that is. The USP method has a checklist — 4 parameters. Which are critical?

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. Methodenvalidierung SST, precision, accuracy, robustness

Validation Reality Check

High-throughput screening 100+ samples/day

Lab QC — 100 samples a day. 23 min per sample = 38h (impossible). You need a fast method <5 min + column switcher.

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

Häufig gestellte Fragen

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

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 dimethyl carbonate — how to set them? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla dimethyl carbonate (CAS 616-38-6) 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

6. Probenvorbereitung Dilution, filtration, storage

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

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 & Ressourcen 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 Fehlschlag-Geschichten Gelernte Lektionen

Echte Pannen von Chemikern — was passiert ist, was geholfen hat und was zu vermeiden ist.

10 columns in 2 months — wrong filter

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

Was ist passiert:

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.

Ghost peaks w ostatnim dniu stability

Dr. Tomasz W., PhD pharmaceutical 2024-08-22 Poziom 4/5

Was ist passiert:

Day 90 stability pull. 6 batch × 2 repeats. W próbce widzę duplikaty peaków z poprzedniego dnia. OOS opened. 4 dni investigation. Root cause: nie pomylony carry-over, tylko buffer NH4HCO3 zostawiony w systemie weekend = bakterie.

💡 Lekcja:

NIGDY nie zostawiaj buforu w systemie >3 dni. Zawsze flush z 80% ACN/20% H2O przed weekendem. Koszt lekcji: 4 dni pracy + 3 batch release delay.

Ask about this method

Hallo — ich bin auf alle Szenarien, FAQ und Literatur zu dieser Methode trainiert. Fragen Sie mich 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 616-38-6). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.

Vinyl acetate

Ta sama kategoria · Ta sama kategoria produktu

1,2-Propylene Diacetate (PGDA)

Ta sama kategoria · Ta sama kategoria produktu

2-Butoxyethyl acetate

Ta sama kategoria · Ta sama kategoria produktu

Butyl acetate (BTAC)

Ta sama kategoria · Ta sama kategoria produktu

Butyl acrylate (BA)

Ta sama kategoria · Ta sama kategoria produktu

📄 Analysenzertifikate (CoA) CAS 616-38-6 keine MolGod_COA_2

Keine Zertifikate für dieses Produkt in der Datenbank.

📚 Wissenschaftliche Referenzen (Chicago Author-Date) — zum Aufklappen klicken

Standards für Chargenmanagement und Laborzertifizierung — 13 unabhängige Quellen (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

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📜 Patente (öffentliche Metadaten) keine Daten MolGod_PATENT_2

Derzeit wurden keine öffentlichen Patent-Metadaten für diese Substanz in Crossref / OpenAlex gefunden. Die Daten werden nach der nächsten Cache-Aktualisierung automatisch ergänzt (24h).

📚 Referenzen (Chicago Author-Date) — zum Aufklappen klicken

et al.. (2026). "Frustrated Lewis Pairs on Porous Ceria Nanorods Drive Low-Temperature Dimethyl Carbonate Hydrogenation to Methanol.". https://doi.org/10.1021/acsnano.5c19425
et al.. (2026). "Br-Mediated Pd Catalysis Promotes Intermediates Stabilization and Coupling for Anodic Electrosynthesis of Dimethyl Carbonate.". https://doi.org/10.1002/anie.4274352
et al.. (2026). "Exploring Dimethyl Carbonate as a Green and Efficient Solvent for Highly Regioselective Iodination of Arylboronic Acids.". https://doi.org/10.1021/acsomega.5c13454
et al.. (2026). "Efficient Catalytic Ozonation of Dimethyl Carbonate on M‑Mn (M = Cr, Cu, Co)/ZSM‑5 Zeolites: Further Analysis of Reaction Mechanism.". https://doi.org/10.1021/acsomega.6c02229
Mohamed A. Abdelaziz, Neil D. Danielson. (2026). "Green reversed-phase liquid chromatography of CoQ10 and vitamin E using dimethyl carbonate as the mobile phase modifier". Green Analytical Chemistry. https://doi.org/10.1016/j.greeac.2026.100380
(2026). "Dimethyl carbonate as a green solvent in ternary solvent systems for liquid chromatography: Investigation of miscibility limits and mobile phase viscosities.". https://doi.org/10.1016/j.chroma.2026.467318
et al.. (2026). "Tuning vacancy structures in metal-doped CeO2 nanorods to alter the reaction equilibrium of direct synthesis of dimethyl carbonate from CO2 and methanol.". https://doi.org/10.1016/j.jcis.2026.141303
(2025). "Greener and Whiter Analytical Procedure for Theobromine and Caffeine Determination in Tea Using Dimethyl Carbonate as an Extraction Solvent and Mobile Phase Constituent in Reversed-Phase Liquid Chromatography.". https://doi.org/10.1021/acsomega.4c11625
You Wang, Jiyun Ren, Qing Guo et al.. (2025). "Spatially proximate In5 and In4+1···In4 on In2O3 enable efficient dimethyl carbonate synthesis from CO2 below 100 oC". Nano Research. https://doi.org/10.26599/NR.2025.94907553
et al.. (2025). "Indirect methanol synthesis from CO2 through high-efficient dimethyl carbonate hydrogenation as a bridge below 100°C.". https://doi.org/10.1038/s41467-025-65623-0
et al.. (2025). "Promoting Intermediate Stabilization and Coupling for Dimethyl Carbonate Electrosynthesis.". https://doi.org/10.1002/smll.202501780
et al.. (2025). "Functional poly(ionic liquid) with unique zwitterionic structure as efficient catalyst for the conversion of ethylene carbonate to dimethyl carbonate.". https://doi.org/10.1002/smo.20240046
et al.. (2025). "Adsorptive Separation, Interfacial Configuration, and Mechanism of Dimethyl Carbonate-Methanol Azeotrope onto α-Al2O3: Experimental and Molecular Simulations.". https://doi.org/10.1021/acsomega.4c10016
et al.. (2025). "Synergistic Effects of Poly(ionic liquids)@MOF-808 Nanocomposites for Direct Conversion of Carbon Dioxide into Dimethyl Carbonate.". https://doi.org/10.1021/acs.langmuir.5c04812
et al.. (2024). "Sustainable C-H Methylation Employing Dimethyl Carbonate.". https://doi.org/10.1021/acs.joc.4c01719
Zhongwei Fu, Yunyun Zhong, Yuehong Yu et al.. (2018). "TiO2‑Doped CeO2 Nanorod Catalyst for Direct Conversion of CO2 and CH3OH to Dimethyl Carbonate: Catalytic Performance and Kinetic Study". ACS Omega. https://doi.org/10.1021/acsomega.7b01475
Cui, Penglei, Wang, Xingxing, Zhang, Peng et al.. (2017). "Glycerol carbonate synthesis from glycerol and dimethyl carbonate using guanidine ionic liquids". Elsevier BV. https://doi.org/10.1016/j.cjche.2017.06.025
Shi, Wei-Jie, Guo, Hao, Li, Wen-Juan et al.. (2015). "N-heterocyclic carbene catalyzed synthesis of dimethyl carbonate via transesterification of ethylene carbonate with methanol". Springer. https://doi.org/10.1016/j.jscs.2014.03.003
Liu, Hongwei, Ke, Xuebin, Zheng, Zhanfeng et al.. (2014). "TiO2 nanofibers of different crystal phases for transesterification of alcohols with dimethyl carbonate". Elsevier. https://doi.org/10.1016/j.apcatb.2013.12.035
Saka, Shiro, Ilham, Zul. (2012). "Optimization of supercritical dimethyl carbonate method for biodiesel production". Elsevier Ltd.. https://doi.org/10.1016/j.fuel.2012.02.066
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/616-38-6?status=active&limit=10

Bibliografie (erweitert) (2)

★★★★☆ OPENLIBRARY 🔓 OFFEN Pietro Tundo. 2013. "Chemistry of Dimethyl Carbonate and Its Derivatives." Wiley & Sons, Incorporated, John. Link [abgerufen: 2026-11-03] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate and Dipropyl Carbonate.". https://doi.org/10.1021/acs.jced.7b00295.s001. Link [abgerufen: 2026-09-21]

Daten von PubChemQuelle: PubChem (NIH) · ChEMBL

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📚 REFERENZEN (Gesammelte Bibliografie, Chicago Author-Date) 121 Einträge

Alle wissenschaftlichen Quellen, die in den Akkordeons oben für CAS 616-38-6 zitiert werden.Format: Chicago Manual of Style, 17. Aufl., Autor-Datum-System.

🗄️ Wissenschaftliche Datenbanken

NIST. n.d. NIST Chemistry WebBook: CAS 616-38-6. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=616-38-6.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 616-38-6. 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 616-38-6. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=616-38-6.

📐 Standards / Richtlinien

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.

📖 Bücher

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.

📄 Wissenschaftliche Artikel (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.
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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.
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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.
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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.
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Dimethyl carbonate

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📚 Deep Education

Die Chemie der mobilen Phase verstehen

Why Acetonitrile vs Methanol?

Vollständiger HPLC-Methodenleitfaden Fachlich begutachtet

Molecular Predictor

Echtes Chemiker-Problem

So lösen wir das

Interaktiver Rechner

Deep Education

Cost Savings Calculator

Häufig gestellte Fragen

Gradient Problem From The Lab

Our Gradient Strategy

Gradient Visualizer

Snyder-Dolan LSS Model

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Column Choice Dilemma

Recommended Columns

Column Lifetime Rules

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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

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Prep Mistakes That Ruined The Run

Sample Prep Protocol

Why Filter 0.22 μm?

Forensische Analyse — echte Fehlschlag-Geschichten Gelernte Lektionen

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