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Eapearl Chemical

Ethyl Methyl Carbonate

EMC

CAS 623-53-0 EC 210-801-8 C4H8O3 Ester CLP Danger
MolGod_SDSCARD_1
REACH 2020/878
v2 · 22.09.2026

Specification

Product NameEthyl Methyl Carbonate
Other NamesEMC
CAS No.623-53-0
EINECS No.210-801-8
MFC4H8O3
Molecular weight104.1
Purity99.50%
AppearanceColorless transparent liquid
Density0.987 g/mL at 20 °C
Melting point-55 °C
Boiling point107 °C
Flashing point23°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

GHS pictogram GHS02 — Flammable GHS pictogram GHS07 — Irritant / harmful

Danger

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

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

  • H225 Highly flammable liquid and vapour
  • H226 Flammable liquid and vapour
  • H315 Causes skin irritation
  • H319 Causes serious eye irritation
Precautionary statements (1)
  • P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking

Packaging and shipping

Drum200 kg
IBC Drum1000 kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Ethyl Methyl Carbonate
Ethyl Methyl Carbonate
Ethyl Methyl Carbonate

Ethyl Methyl Carbonate (EMC, CAS 623-53-0) is a high-purity, low-toxicity carbonate solvent widely used in the lithium-ion battery industry. It is a colorless transparent liquid with molecular formula C₄H₈O₃ and molecular weight 88.11. It features moderate viscosity, good electrochemical stability, and excellent compatibility with other carbonate solvents, making it an ideal component for high-performance battery electrolytes. Our EMC is mainly supplied as battery grade with purity up to 99.90%, strict impurity control, stable quality, and reliable supply to meet global industrial standards.

EMC is primarily used in lithium-ion battery electrolytes, where it improves battery cycle life, rate performance, and low-temperature stability when mixed with EC, PC, DEC and DMC. It also serves as a mild organic solvent in chemical synthesis and reaction systems. In application, it is blended evenly with other solvents under dry and airtight conditions. It is widely applied in consumer electronics, power batteries, and energy storage systems due to its stable performance, safe operation, and strong environmental adaptability.

Ethyl Methyl Carbonate (EMC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & customizable gradesEthyl Methyl Carbonate (EMC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & customizable gradesEthyl Methyl Carbonate (EMC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & customizable grades

Ethyl Methyl Carbonate (EMC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & customizable grades

Product Description

Ethyl Methyl Carbonate (EMC, CAS 623-53-0) is a high-purity, low-toxicity and environmentally friendly carbonate solvent, widely recognized as a key raw material for lithium-ion battery electrolytes.

 It is a colorless transparent liquid with molecular formula C₄H₈O₃ and molecular weight 88.11.

 It has moderate boiling point, low viscosity, good fluidity and high electrochemical stability, with strong compatibility with other carbonate solvents such as EC, DMC and DEC. 

Our EMC is mainly produced as battery grade with purity above 99.90%, strict control of moisture and metal impurities, stable quality and consistent performance. Supported by a complete quality system and stable supply chain,

 it fully meets international industrial requirements for advanced energy storage applications.

EMC is mainly used in lithium-ion battery electrolytes to improve overall battery performance, including cycle life, charging and discharging efficiency, and low-temperature adaptability.

 It is usually mixed with other solvents in a certain ratio under dry and sealed conditions to form stable electrolyte solutions. It is widely applied in consumer electronics, new energy vehicles, energy storage batteries and other high-demand scenarios.

 In addition, EMC can also be used as an efficient organic solvent in chemical synthesis and reaction processes, with mild properties and low volatility.

 In actual use, it should be stored in a dry, ventilated and sealed environment to avoid moisture absorption. With stable performance and high safety, EMC has become an indispensable material in the modern new energy industry.

Ethyl Methyl Carbonate (EMC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & customizable grades

Ethyl Methyl Carbonate (EMC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & customizable grades

Delivery&Payment method

Ethyl Methyl Carbonate (EMC) Multi-functional Solution | Covers battery electrolytes, solvents and chemical synthesis | Stable supply & customizable grades

Frequently asked

In what packaging is Ethyl Methyl Carbonate shipped?

Standard formats are Drum (200 kg), IBC Drum (1000 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 Ethyl Methyl 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 99.50%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Ethyl Methyl Carbonate

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3D-Modell Ethyl methyl carbonate, CAS 623-53-0, Summenformel C4H8O3, molare Masse 104.10 g/mol

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 623-53-0MolGod_PROPHUB_MAIN
📊 Physikochemische Eigenschaften

Kurzübersicht

Formel: C4H8O3
MW: 104.1 g/mol
CAS: 623-53-0
🔬 Erweiterte Eigenschaften

Chemische Kennungen

SMILES: CCOC(=O)OC

Zuletzt aktualisiert: 2026-09-21

Chemische Übersicht: Ethyl methyl carbonateMolGod_OVERVIEW_1
SummenformelC4H8O3[1]
Molekulargewicht104.1 g/mol[1]
LogP (Lipophilie)0.9[1]
IUPAC-Nameethyl methyl carbonate[1]
SMILESCCOC(=O)OC[1]
InChIKeyJBTWLSYIZRCDFO-UHFFFAOYSA-N[1]

Synonyme: Ethyl methyl carbonate · 623-53-0 · Carbonic acid, ethyl methyl ester · Ester solvent · Methyl Ethyl Carbonate

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

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (1 Quellen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: Summenformel · Molekulargewicht · LogP (Lipophilie) · IUPAC-Name · SMILES · InChIKey

WISSENSCHAFTLICHE FORSCHUNG

[1]Europe PMC2026
et al.. (2026). "Catalyst design for sustainable and directional ethyl methyl carbonate synthesis.". https://doi.org/10.1039/d6cc04327e
[2]Europe PMC2025
et al.. (2025). "Regulating the Lipophilicity of an Acid-Base Bifunctional Catalyst to Enhance the Performance of Catalytic Synthesis of Ethyl Methyl Carbonate.". https://doi.org/10.1021/acs.langmuir.
[3]Europe PMC2025
et al.. (2025). "Three-Dimensional Ordered Porous SnO2 Nanostructures Derived from Polystyrene Sphere Templates for Ethyl Methyl Carbonate Detection in Battery Safety Applications.". https://doi.org/1
[4]Doaj2025
Claire M. Grégoire, Eric L. Petersen, Olivier Mathieu. (2025). "Experimental and Numerical Study of the Impact of Pressure During the Pyrolysis of Diethyl Carbonate and Ethyl Methyl Carbonate". Batter
[5]CrossRef2025
Young Min Cho, Dong June Ahn. (2025). "Isobaric Vapor-Liquid Equilibrium for Binary Systems of Ethyl Methyl Carbonate (and Diethyl Carbonate) + Ethyl Propionate, + Methyl Propionate at 101.3 kPa". Kor
[6]Europe PMC2024
et al.. (2024). "Fine-Tuning Electron-Donor Capability in the Basic Anion of Poly(ionic liquid) Frameworks for Revolutionizing Catalytic Synthesis of Ethyl Methyl Carbonate with Both Ultrahigh Catalyt
[7]Europe PMC2024
et al.. (2024). "Crucial Roles of Ethyl Methyl Carbonate in Lithium-Ion and Dual-Ion Batteries: A Review.". https://doi.org/10.1021/acs.langmuir.4c00961
[8]CrossRef2024
Philipp Finster, Judith Jung, Magnus Rohde et al.. (2024). "Heat Capacity of Ethylene Carbonate and Ethyl Methyl Carbonate for the Liquid Phase at Elevated Temperatures". https://doi.org/10.2139/ssrn.
📚 Wissenschaftliche Referenzen (Chicago Author-Date) 19 refs · 4 baz

MOLECULE Bibliografie pro CAS (live aus 13+ Datenbanken)

Quellen: db:Europe PMC (7) · db:doaj (1) · db:crossref (10) · db:core (1)

  1. db:Europe PMC et al.. (2026). "Catalyst design for sustainable and directional ethyl methyl carbonate synthesis.". https://doi.org/10.1039/d6cc04327e
  2. db:Europe PMC et al.. (2025). "Regulating the Lipophilicity of an Acid-Base Bifunctional Catalyst to Enhance the Performance of Catalytic Synthesis of Ethyl Methyl Carbonate.". https://doi.org/10.1021/acs.langmuir.5c03423
  3. db:Europe PMC et al.. (2025). "Three-Dimensional Ordered Porous SnO2 Nanostructures Derived from Polystyrene Sphere Templates for Ethyl Methyl Carbonate Detection in Battery Safety Applications.". https://doi.org/10.3390/nano15151150
  4. db:doaj Claire M. Grégoire, Eric L. Petersen, Olivier Mathieu. (2025). "Experimental and Numerical Study of the Impact of Pressure During the Pyrolysis of Diethyl Carbonate and Ethyl Methyl Carbonate". Batteries. https://doi.org/10.3390/batteries11080303
  5. db:crossref Young Min Cho, Dong June Ahn. (2025). "Isobaric Vapor-Liquid Equilibrium for Binary Systems of Ethyl Methyl Carbonate (and Diethyl Carbonate) + Ethyl Propionate, + Methyl Propionate at 101.3 kPa". Korean Journal of Chemical Engineering. https://doi.org/10.1007/s11814-025-00589-9
  6. db:Europe PMC et al.. (2024). "Fine-Tuning Electron-Donor Capability in the Basic Anion of Poly(ionic liquid) Frameworks for Revolutionizing Catalytic Synthesis of Ethyl Methyl Carbonate with Both Ultrahigh Catalytic Activity and Selectivity.". https://doi.org/10.1021/acs.langmuir.4c00650
  7. db:Europe PMC et al.. (2024). "Crucial Roles of Ethyl Methyl Carbonate in Lithium-Ion and Dual-Ion Batteries: A Review.". https://doi.org/10.1021/acs.langmuir.4c00961
  8. db:crossref Philipp Finster, Judith Jung, Magnus Rohde et al.. (2024). "Heat Capacity of Ethylene Carbonate and Ethyl Methyl Carbonate for the Liquid Phase at Elevated Temperatures". https://doi.org/10.2139/ssrn.4975146
  9. db:core Román-Ramírez, Luis A.; id_orcid, Shiva J. Jethwa, Luis A. Román-Ramírez et al.. (2023). "Vapor Equilibrium Data for the Binary Mixtures of Dimethyl Carbonate and Ethyl Methyl Carbonate in Compressed Carbon Dioxide". Springer Science and Business Media LLC. https://doi.org/10.1007/s10765-023-03186-2
  10. db:crossref Guido Noe Rimondino, Jesús Alaberto Vila, Fabio Ernesto Malanca. (2023). "Atmospheric Oxidation of Ethyl Methyl Carbonate: Kinetics and Reaction Mechanism". https://doi.org/10.2139/ssrn.4443008
  11. db:Europe PMC (2021). "Effect of Preparation Method on the Catalytic Property of Calcined Ca-Al Hydrotalcite for the Synthesis of Ethyl Methyl Carbonate.". https://doi.org/10.1021/acsomega.0c06269
  12. db:Europe PMC et al.. (2021). "Nitrogen-doped carbon supported ZnO as highly stable heterogeneous catalysts for transesterification synthesis of ethyl methyl carbonate.". https://doi.org/10.1016/j.jcis.2020.07.095
  13. db:crossref Julian Self, Nathan T. Hahn, Kristin A. Persson. (2020). "Solvation Effects on the Dielectric Constant of 1 M LiPF6 in Ethylene Carbonate: Ethyl Methyl Carbonate 3:7". https://doi.org/10.1149/osf.io/5qhg7
  14. db:crossref Hongming Zhou, Zhenqi Fang, Jian Li. (2013). "LiPF6 and lithium difluoro(oxalato)borate/ethylene carbonate + dimethyl carbonate + ethyl(methyl)carbonate electrolyte for Li4Ti5O12 anode". Journal of Power Sources. https://doi.org/10.1016/j.jpowsour.2012.11.060
  15. db:crossref (0). "Ethylene Carbonate-Free Electrolytes Based on Ethyl Methyl Carbonate for High-Voltage LiCoO2/Si-Graphite Lithium-Ion Batteries". https://doi.org/10.1021/acsaem.3c02551.s001
  16. db:crossref (0). "Anion Storage Behavior of Graphite Electrodes in LiBF4/Sulfone/Ethyl Methyl Carbonate Solutions". https://doi.org/10.1021/acs.langmuir.9b02758.s001
  17. db:crossref (0). "Unlocking the True Capability of Graphite-Based Dual-Ion Batteries with Ethyl Methyl Carbonate Electrolyte". https://doi.org/10.1021/acsaem.9b01499.s001
  18. db:crossref (0). "Synergetic Effect of Ethyl Methyl Carbonate and Trimethyl Phosphate on BF4 Intercalation into a Graphite Electrode". https://doi.org/10.1021/acs.langmuir.9b00262.s001
  19. db:crossref (0). "Regulating the Lipophilicity of an AcidBase Bifunctional Catalyst to Enhance the Performance of Catalytic Synthesis of Ethyl Methyl Carbonate". https://doi.org/10.1021/acs.langmuir.5c03423.s001
Regulatorischer Status der Substanz
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🧮 Stöchiometrie-RechnerMolGod_STOICH_1
🧪 Chemische DatenMolGod_CHEMDATA_1
CAS-Nummer
623-53-0
Summenformel
C4H8O3
Molmasse
104.10 g/mol
IUPAC-Name (EN)
ethyl methyl carbonate
SMILES
CCOC(=O)OC
InChIKey
JBTWLSYIZRCDFO-UHFFFAOYSA-N
📚 Literatura naukowa (10 Artikel)MolGod_LITSCI_1
Román-Ramírez, Luis A.; id_orcid, Shiva J. Jethwa, Luis A. Román-Ramírez et al. · (2023) · Springer Science and Business Media LLC
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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
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  • NIST WebBook — National Institute of Standards and Technology, USA

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🔍 Externe IdentifikatorenMolGod_EXTID_1
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CAS Registry Number623-53-0Öffnen →
PubChem CID522046[1]Öffnen →
InChIKeyJBTWLSYIZRCDFO-UHFFFAOYSA-N[1]Öffnen →
InChIInChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3[1]
SMILESCCOC(=O)OC[1]
EC Number433-480-9[2]Öffnen →
ChemSpider455390[3]Öffnen →
UNII (FDA)OU358HAE25Öffnen →
WikiData QIDQ15632858Öffnen →

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

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (3 Quellen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. dotyczy: EC Number
  3. 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) (4)

  1. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Ethylene Carbonate-Free Electrolytes Based on Ethyl Methyl Carbonate for High-Voltage LiCoO2/Si-Graphite Lithium-Ion Batteries.". https://doi.org/10.1021/acsaem.3c02551.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Anion Storage Behavior of Graphite Electrodes in LiBF4/Sulfone/Ethyl Methyl Carbonate Solutions.". https://doi.org/10.1021/acs.langmuir.9b02758.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Unlocking the True Capability of Graphite-Based Dual-Ion Batteries with Ethyl Methyl Carbonate Electrolyte.". https://doi.org/10.1021/acsaem.9b01499.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Synergetic Effect of Ethyl Methyl Carbonate and Trimethyl Phosphate on BF4 Intercalation into a Graphite Electrode.". https://doi.org/10.1021/acs.langmuir.9b00262.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
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❓ Häufig gestellte Fragen (3)MolGod_FAQ_1
What is 623-53-0?
623-53-0 (CAS 623-53-0) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Hilfreich?
What is the CAS number of 623-53-0?
The CAS number for 623-53-0 is 623-53-0. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Hilfreich?
How should 623-53-0 be stored?
623-53-0 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
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➕ Frage vorschlagen
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Geben Sie die Konzentration Ethyl methyl carbonate in einer beliebigen Einheit ein — der Rest wird automatisch berechnet.

MW: 104.10 g/mol · IUPAC Gold Book ↗

⚗️ Umrechnungsformeln + Zitate (pro Formel)
UmrechnungFormelGenauigkeitQuelle
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliographie (8 autoritative Quellen)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM ·
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 ·
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 ·
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
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③ Lösungsmittel

Berechnungen nach: IUPAC Gold Book ↗, Merck ↗

ComputerchemieMolGod_COMPCHEM_1

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🛡️ Sicherheit — CAS 623-53-0MolGod_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
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.

⚠ Einstufung basierend auf einem Konsens der Quellen (PubChem / Meldungen der Lieferanten) — nicht gegen die harmonisierte Einstufung in Anhang VI (CLP) verifiziert. Der Gefahrenumfang kann breiter sein als die amtliche Einstufung; vor der Verwendung mit dem aktuellen Sicherheitsdatenblatt des Lieferanten verifizieren.

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

📚 Konsolidierte wissenschaftliche Referenzen — Chicago Author-Date 10 Quellen

Referenzen aus allen Safety-Hub-Registerkarten gesammelt. CAS: 623-53-0 · PubChem ↗

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

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).

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)
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🧪 Löslichkeit und Lösungsmittelkompatibilität MolGod_SOLUB_1
Molekül
Ethyl methyl carbonate
Formel
C4H8O3
logP (XLogP3)
0.90
Masse (g/mol)
104.10
Polarität
Mäßig

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

Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.
📚 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)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Löslichkeitstheorie (angewendet in der Verträglichkeitsvorhersage):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP-Triplett (dD, dP, dH) + Ra-Formel.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Vollständige tabellarische Sammlung von 250+ Lösungsmitteln (ε, μ, Donizität, Akzeptorzahlen).
  8. PubChem Compound Database — CAS 623-53-0 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
0 3 0
Gesundheit: 0/4
Entflammbarkeit: 3/4
Reaktivität: 0/4
Gemäß NFPA 704 / berechnet aus H-Sätzen

Prüfen Sie, ob Ethyl methyl 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)
Molarität (M=n/V)
pH-Puffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Masse → Mol
Konzentration % → M
ppm → mg/L
Temperatur C↔F↔K

Verifizierte Formeln: IUPAC Gold Book ↗, DOI ↗

📊 Spektroskopische Spektrendatenbanken MolGod_SPECDB_3
📋 Laborprotokoll-Generator MolGod_PROTOCOL_1

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

🏷️ Etiketten-Generator (QR) MolGod_LABEL_1
Ethyl Methyl Carbonate• Carbonic acid, ethyl methyl ester• IUPAC: ethyl methyl carbonate• CAS: 623-53-0• EC: 433-480-9• Formel: C4H8O3• Masse: 104.1 g/molGEFAHRGHS-GEFAHRENHINWEISE:(Selbsteinstufung der Lieferanten — unverbindlich)H225 H226 H315 H319P210Nur für Laborzwecke!Anhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
Deskryptory Lipinskiego (struktura)

Drug-Likeness-Radardiagramm (Lipinski Ro5 / Veber). Grüne Zone = Übereinstimmung mit den Kriterien.

Vorhersagedaten — in silico berechnete Eigenschaften (SMILES/RDKit). Sie ersetzen keine klinischen Studien. Nicht zur Arzneimittelbewertung ohne experimentelle Verifizierung verwenden.

MW104.1LogP0.9HBD0HBA3RotB3TPSA35.5 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=104)✗ REOS (MW=104)✓ Lead-like Ro3
EigenschaftWertBewertung
Resorption (GI)hoch
BHS-Permeabilitätja (durchdringt)
Bioverfügbarkeit (Daina 2017)
55%
CYP450-ProfilCYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
PAINS-Warnungen0
Brenk-Warnungen0
pKa (pH 7.4)4.5 (predicted)
hERG (Kardiotox.)✓ nein
P-gp-Substrat
Ames-Mutagenität✓ nein
DILI (Hepatotox.)
LogS (Wasserlösl.)
Quellen (ADMET-Methodik)
  1. Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
  2. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  3. Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
  6. Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
  7. 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.
  8. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
  11. Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
  12. Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. 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.
  15. Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
  16. Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
  17. Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
  18. Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. et al.. (2026). "Catalyst design for sustainable and directional ethyl methyl carbonate synthesis.". https://doi.org/10.1039/d6cc04327e
  22. et al.. (2025). "Regulating the Lipophilicity of an Acid-Base Bifunctional Catalyst to Enhance the Performance of Catalytic Synthesis of Ethyl Methyl Carbonate.". https://doi.org/10.1021/acs.langmuir.5c03423
  23. et al.. (2025). "Three-Dimensional Ordered Porous SnO2 Nanostructures Derived from Polystyrene Sphere Templates for Ethyl Methyl Carbonate Detection in Battery Safety Applications.". https://doi.org/10.3390/nano15151150
  24. Claire M. Grégoire, Eric L. Petersen, Olivier Mathieu. (2025). "Experimental and Numerical Study of the Impact of Pressure During the Pyrolysis of Diethyl Carbonate and Ethyl Methyl Carbonate". Batteries. https://doi.org/10.3390/batteries11080303
  25. Young Min Cho, Dong June Ahn. (2025). "Isobaric Vapor-Liquid Equilibrium for Binary Systems of Ethyl Methyl Carbonate (and Diethyl Carbonate) + Ethyl Propionate, + Methyl Propionate at 101.3 kPa". Korean Journal of Chemical Engineering. https://doi.org/10.1007/s11814-025-00589-9
  26. et al.. (2024). "Fine-Tuning Electron-Donor Capability in the Basic Anion of Poly(ionic liquid) Frameworks for Revolutionizing Catalytic Synthesis of Ethyl Methyl Carbonate with Both Ultrahigh Catalytic Activity and Selectivity.". https://doi.org/10.1021/acs.langmuir.4c00650
  27. et al.. (2024). "Crucial Roles of Ethyl Methyl Carbonate in Lithium-Ion and Dual-Ion Batteries: A Review.". https://doi.org/10.1021/acs.langmuir.4c00961
  28. Philipp Finster, Judith Jung, Magnus Rohde et al.. (2024). "Heat Capacity of Ethylene Carbonate and Ethyl Methyl Carbonate for the Liquid Phase at Elevated Temperatures". https://doi.org/10.2139/ssrn.4975146
  29. Román-Ramírez, Luis A.; id_orcid, Shiva J. Jethwa, Luis A. Román-Ramírez et al.. (2023). "Vapor Equilibrium Data for the Binary Mixtures of Dimethyl Carbonate and Ethyl Methyl Carbonate in Compressed Carbon Dioxide". Springer Science and Business Media LLC. https://doi.org/10.1007/s10765-023-03186-2
  30. Guido Noe Rimondino, Jesús Alaberto Vila, Fabio Ernesto Malanca. (2023). "Atmospheric Oxidation of Ethyl Methyl Carbonate: Kinetics and Reaction Mechanism". https://doi.org/10.2139/ssrn.4443008
  31. (2021). "Effect of Preparation Method on the Catalytic Property of Calcined Ca-Al Hydrotalcite for the Synthesis of Ethyl Methyl Carbonate.". https://doi.org/10.1021/acsomega.0c06269
  32. et al.. (2021). "Nitrogen-doped carbon supported ZnO as highly stable heterogeneous catalysts for transesterification synthesis of ethyl methyl carbonate.". https://doi.org/10.1016/j.jcis.2020.07.095
  33. Julian Self, Nathan T. Hahn, Kristin A. Persson. (2020). "Solvation Effects on the Dielectric Constant of 1 M LiPF6 in Ethylene Carbonate: Ethyl Methyl Carbonate 3:7". https://doi.org/10.1149/osf.io/5qhg7
  34. Hongming Zhou, Zhenqi Fang, Jian Li. (2013). "LiPF6 and lithium difluoro(oxalato)borate/ethylene carbonate + dimethyl carbonate + ethyl(methyl)carbonate electrolyte for Li4Ti5O12 anode". Journal of Power Sources. https://doi.org/10.1016/j.jpowsour.2012.11.060
  35. (0). "Ethylene Carbonate-Free Electrolytes Based on Ethyl Methyl Carbonate for High-Voltage LiCoO2/Si-Graphite Lithium-Ion Batteries". https://doi.org/10.1021/acsaem.3c02551.s001
  36. (0). "Anion Storage Behavior of Graphite Electrodes in LiBF4/Sulfone/Ethyl Methyl Carbonate Solutions". https://doi.org/10.1021/acs.langmuir.9b02758.s001
  37. (0). "Unlocking the True Capability of Graphite-Based Dual-Ion Batteries with Ethyl Methyl Carbonate Electrolyte". https://doi.org/10.1021/acsaem.9b01499.s001
  38. (0). "Synergetic Effect of Ethyl Methyl Carbonate and Trimethyl Phosphate on BF4 Intercalation into a Graphite Electrode". https://doi.org/10.1021/acs.langmuir.9b00262.s001
  39. (0). "Regulating the Lipophilicity of an AcidBase Bifunctional Catalyst to Enhance the Performance of Catalytic Synthesis of Ethyl Methyl Carbonate". https://doi.org/10.1021/acs.langmuir.5c03423.s001
  40. Young Min Cho, Dong June Ahn. 2025. "Isobaric Vapor-Liquid Equilibrium for Binary Systems of Ethyl Methyl Carbonate (and Diethyl Carbonate) + Ethyl Propionate, + Methyl Propionate at 101.3 kPa." Korean Journal of Chemical Engineering. DOI: 10.1007/s11814-025-00589-9. [DOI ↗]
  41. et al. 2024. "Crucial Roles of Ethyl Methyl Carbonate in Lithium-Ion and Dual-Ion Batteries: A Review." DOI: 10.1021/acs.langmuir.4c00961. [DOI ↗]
  42. Cho, Young Min; Ahn, Dong June. 2025. "Isobaric Vapor-Liquid Equilibrium for Binary Systems of Ethyl Methyl Carbonate (and Diethyl Carbonate) + Ethyl Propionate, + Methyl Propionate at 101.3 kPa." Korean Journal of Chemical Engineering. DOI: 10.1007/s11814-025-00589-9. [DOI ↗]
  43. "Ethylene Carbonate-Free Electrolytes Based on Ethyl Methyl Carbonate for High-Voltage LiCoO2/Si-Graphite Lithium-Ion Batteries." DOI: 10.1021/acsaem.3c02551.s001. [DOI ↗]
  44. "Anion Storage Behavior of Graphite Electrodes in LiBF4/Sulfone/Ethyl Methyl Carbonate Solutions." DOI: 10.1021/acs.langmuir.9b02758.s001. [DOI ↗]
  45. "Unlocking the True Capability of Graphite-Based Dual-Ion Batteries with Ethyl Methyl Carbonate Electrolyte." DOI: 10.1021/acsaem.9b01499.s001. [DOI ↗]
  46. "Synergetic Effect of Ethyl Methyl Carbonate and Trimethyl Phosphate on BF4 Intercalation into a Graphite Electrode." DOI: 10.1021/acs.langmuir.9b00262.s001. [DOI ↗]
  47. "Regulating the Lipophilicity of an AcidBase Bifunctional Catalyst to Enhance the Performance of Catalytic Synthesis of Ethyl Methyl Carbonate." DOI: 10.1021/acs.langmuir.5c03423.s001. [DOI ↗]
  48. "Energy-Efficient Reactive Dividing Wall Column Coupled with Pressure-Swing Distillation for Ethyl Methyl Carbonate via Heat Pump Integration." DOI: 10.1021/acs.iecr.5c01100.s001. [DOI ↗]
  49. Anonymous. "Ethylene Carbonate-Free Electrolytes Based on Ethyl Methyl Carbonate for High-Voltage LiCoO2/Si-Graphite Lithium-Ion Batteries.". https://doi.org/10.1021/acsaem.3c02551.s001. [DOI ↗]
  50. Anonymous. "Anion Storage Behavior of Graphite Electrodes in LiBF4/Sulfone/Ethyl Methyl Carbonate Solutions.". https://doi.org/10.1021/acs.langmuir.9b02758.s001. [DOI ↗]
  51. Anonymous. "Unlocking the True Capability of Graphite-Based Dual-Ion Batteries with Ethyl Methyl Carbonate Electrolyte.". https://doi.org/10.1021/acsaem.9b01499.s001. [DOI ↗]
  52. Anonymous. "Synergetic Effect of Ethyl Methyl Carbonate and Trimethyl Phosphate on BF4 Intercalation into a Graphite Electrode.". https://doi.org/10.1021/acs.langmuir.9b00262.s001. [DOI ↗]
  53. et al. 2026. "Catalyst design for sustainable and directional ethyl methyl carbonate synthesis." DOI: 10.1039/d6cc04327e. [DOI ↗]
  54. et al. 2025. "Regulating the Lipophilicity of an Acid-Base Bifunctional Catalyst to Enhance the Performance of Catalytic Synthesis of Ethyl Methyl Carbonate." DOI: 10.1021/acs.langmuir.5c03423. [DOI ↗]
  55. et al. 2024. "Fine-Tuning Electron-Donor Capability in the Basic Anion of Poly(ionic liquid) Frameworks for Revolutionizing Catalytic Synthesis of Ethyl Methyl Carbonate with Both Ultrahigh Catalytic Activity and Selectivity." DOI: 10.1021/acs.langmuir.4c00650. [DOI ↗]
  56. 2021. "Effect of Preparation Method on the Catalytic Property of Calcined Ca-Al Hydrotalcite for the Synthesis of Ethyl Methyl Carbonate." DOI: 10.1021/acsomega.0c06269. [DOI ↗]
  57. et al. 2021. "Nitrogen-doped carbon supported ZnO as highly stable heterogeneous catalysts for transesterification synthesis of ethyl methyl carbonate." DOI: 10.1016/j.jcis.2020.07.095. [DOI ↗]
  58. Román-Ramírez, Luis A.; id_orcid, Shiva J. Jethwa, Luis A. Román-Ramírez et al. 2023. "Vapor Equilibrium Data for the Binary Mixtures of Dimethyl Carbonate and Ethyl Methyl Carbonate in Compressed Carbon Dioxide." Springer Science and Business Media LLC. DOI: 10.1007/s10765-023-03186-2. [DOI ↗]
  59. Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
  60. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
  61. Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
  62. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
  63. Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
  64. Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
  65. Guo, Yi; Wang, Rui; Shu, Chang; et al. 2023. "Selective Synthesis of Methyl Ethyl Carbonate Intensified by Reactive Distillation from Consecutive Transesterification of Methyl Carbonate and Ethanol." DOI: 10.2139/ssrn.4614471. [DOI ↗]
  66. Guo, Yi, Wang, Rui, Shu, Chang, Li, Hong, Gao, Xin. 2023. "Selective Synthesis of Methyl Ethyl Carbonate Intensified by Reactive Distillation from Consecutive Transesterification of Methyl Carbonate and Ethanol.". https://doi.org/10.2139/ssrn.4614471. [DOI ↗]
  67. PubMed PMID PubChem. (Metadata fetch failed.)
  68. et al. 2025. "Three-Dimensional Ordered Porous SnO<sub>2</sub> Nanostructures Derived from Polystyrene Sphere Templates for Ethyl Methyl Carbonate Detection in Battery Safety Applications." DOI: 10.3390/nano15151150. [DOI ↗]
  69. Claire M. Grégoire, Eric L. Petersen, Olivier Mathieu. 2025. "Experimental and Numerical Study of the Impact of Pressure During the Pyrolysis of Diethyl Carbonate and Ethyl Methyl Carbonate." Batteries. DOI: 10.3390/batteries11080303. [DOI ↗]
  70. Philipp Finster, Judith Jung, Magnus Rohde et al. 2024. "Heat Capacity of Ethylene Carbonate and Ethyl Methyl Carbonate for the Liquid Phase at Elevated Temperatures." DOI: 10.2139/ssrn.4975146. [DOI ↗]
  71. Julian Self, Nathan T. Hahn, Kristin A. Persson. 2020. "Solvation Effects on the Dielectric Constant of 1 M LiPF6 in Ethylene Carbonate: Ethyl Methyl Carbonate 3:7." DOI: 10.1149/osf.io/5qhg7. [DOI ↗]
  72. Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
  73. Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
  74. 2018. "FLAP modulators." [ChEMBL bioactivity primary lit]
  75. 2017. "Flap modulators." [ChEMBL bioactivity primary lit]
  76. 2015. "Flap modulators." [ChEMBL bioactivity primary lit]
  77. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  78. ECHA. 2024. "REACH Guidance." European Chemicals Agency.
  79. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179.
  80. Mohsen A. Hedaya. 2003. "Basic Pharmacokinetics." mohsen A. hedaya.
🧪 Assistent zur Lösungsherstellung (Smart Prep) MolGod_PREP_2

Geben Sie ein, was Sie zubereiten möchten — ich erstelle eine SOP

Beispiele unten — zum Einfügen anklicken:
Fertige Rezepte:
📚 Überblick über die wissenschaftliche Literatur — CAS 623-53-0MolGod_LITHUB_MAIN
⭐ Wichtigste Erkenntnisse (wissenschaftliche Literatur) 18 Publikationen
🏆 CAS 623-53-0 — multi-criteria ranking (W12): 30% Zitierungen · 20% Aktualität · 20% Thema · 15% historisch · 15% Open Access.
  1. #1
    Xi Zhou; Chao Zhang (2021) · ACS Omega
    Warum es wichtig ist: Open access
    SCORE 8.96 Mechanismus Citations: 3 Open Access DOI ↗ PubMed ↗
  2. #2
    Guido Noe Rimondino, Jesús Alaberto Vila, Fabio Ernesto Malanca (2023)
    Warum es wichtig ist: Aktuell (2023) · open access
    SCORE 8.55 Mechanismus Open Access DOI ↗
  3. #3
    et al. (2025) · Nanomaterials
    Warum es wichtig ist: Aktuell (2025) · open access
    SCORE 7.95 Mechanismus Citations: 1 Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2021) · Journal of Colloid and Interface Science
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 7.51 Mechanismus Citations: 3 DOI ↗ PubMed ↗
  5. #5
    Philipp Finster, Judith Jung, Magnus Rohde et al. (2024)
    Warum es wichtig ist: Aktuell (2024) · open access
    SCORE 6.25 Mechanismus Open Access DOI ↗
  6. #6
    Claire M. Grégoire, Eric L. Petersen, Olivier Mathieu (2025) · Batteries
    Warum es wichtig ist: Aktuell (2025) · open access
    SCORE 6.25 Mechanismus Open Access DOI ↗
  7. #7
    Román-Ramírez, Luis A.; id_orcid, Shiva J. Jethwa, Luis A. Román-Ramírez et al. (2023) · Springer Science and Business Media LLC
    Warum es wichtig ist: Aktuell (2023) · open access
    SCORE 6.15 Mechanismus Open Access DOI ↗
  8. #8
    et al. (2024) · Langmuir
    Warum es wichtig ist: Aktuell (2024)
    SCORE 5.81 Mechanismus Citations: 3 DOI ↗ PubMed ↗
  9. #9
    et al. (2024) · Langmuir
    Warum es wichtig ist: Aktuell (2024)
    SCORE 5.7 Mechanismus Citations: 1 DOI ↗ PubMed ↗
  10. #10
    Julian Self, Nathan T. Hahn, Kristin A. Persson (2020)
    Warum es wichtig ist: Open access
    SCORE 5.25 Mechanismus Open Access DOI ↗
  11. #11
    et al. (2026) · Chemical Communications
    Warum es wichtig ist: Aktuell (2026)
    SCORE 4.8 Mechanismus DOI ↗ PubMed ↗
  12. #12
    et al. (2025) · Langmuir
    Warum es wichtig ist: Aktuell (2025)
    SCORE 4.8 Mechanismus DOI ↗ PubMed ↗
  13. #13
    Young Min Cho, Dong June Ahn (2025) · Korean Journal of Chemical Engineering
    Warum es wichtig ist: Aktuell (2025)
    SCORE 4 Mechanismus DOI ↗
  14. #14
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 0.8 Mechanismus DOI ↗
  15. #15
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 0 Mechanismus DOI ↗
  16. #16
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 0 Mechanismus DOI ↗
  17. #17
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 0 Mechanismus DOI ↗
  18. #18
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 0 Mechanismus DOI ↗
🔬 HPLC — Methoden und Parameter — CAS 623-53-0MolGod_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: 0.9 (PubChem XLogP3)
  • Rampe: 12% → 95% B, 10 min
  • Gesamtanalysenzeit: 23 min
t (min) %A %B flow (mL/min) Kommentar
0 88 12 1 Start (Gleichgewicht)
2 88 12 1 Ende der Anfangshaltezeit
12 5 95 1 Ende der LSS-Rampe
17 5 95 1 Säulenspülung
18 88 12 1 Rückkehr zu init
23 88 12 1 Reäquilibrierung
📚 Wissenschaftliche Referenzen (Chicago Author-Date)
  1. 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).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. 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.
  4. 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.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. 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.
  7. 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 ↗]
  8. 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).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. 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/623-53-0

📐 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).

Abmessungen150 × 4.6 mm, 5 µm
Theoretische Böden (N)12,466
N bei u_opt12,500
HETP (aktuell)12.032 µm
Min. HETP12 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)
  1. 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.
  2. 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).
  3. 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.
  4. 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.
  5. 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).
  6. 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.
  7. 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).
  8. 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.
  9. Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/623-53-0

🧪 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)
  1. Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
  2. 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
  3. Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
  4. 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
  5. Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
  6. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
  7. 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
  8. 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
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

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

Vollständiger HPLC-Methodenleitfaden Fachlich begutachtet

Molekülspezifische Szenarien, Fehlerbehebung und Literaturhinweise

Molecular Predictor

Predicted parameters for this molecule (CAS 623-53-0) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
3.45 min
Range: 2.42 – 4.49
confidence: medium
Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min
UV λmax
210 nm
confidence: medium
No strong chromophore detected → 210 nm uniwersalne
Concentration
0.5 mg/mL
= 4.803 mM
confidence: high
Safe linear range detektora UV (nie przekroczy 1.5 AU)
Buffer pH
2
Range: 1.5 – 2.5
confidence: medium
Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)
Injection Volume
20 μL
confidence: medium
Smaller volume for larger molecules (avoiding peak broadening)

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

Echtes Chemiker-Problem

First method — how do you know where to start?

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

So lösen wir das

1

Exact Solvent List

Name + CAS + Grade + Role in method

2

Grade Explanations

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

3

Consumption Calculator

4

Shopping List

One-click add to cart

Interaktiver Rechner

Deep Education

Die Chemie der mobilen Phase verstehen

Why Acetonitrile vs Methanol?
PropertyAcetonitrile (ACN)Methanol (MeOH)
Viscosity (20°C)0.37 cP0.59 cP (+59%)
Back Pressure~150 bar~210 bar (+40%)
UV Cutoff190 nm205 nm
Elution StrengthStrongerWeaker
Price (typical)115 PLN/L70 PLN/L (-39%)
Van Deemter Equation Impact

H = A + B/u + Cu

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

Buffer Selection: Why NH₄HCO₃?
  • Volatile: MS-compatible (evaporates without residue)
  • pH range: 6.5–8.5 (ideal for most organic acids)
  • Shelf life: 4 weeks @ 4°C (make fresh weekly)
  • Concentration: 10 mM optimal (higher = ion suppression in MS)

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

Cost Savings Calculator

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

1. Solwenty — ACN vs MeOH

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

2. Kolumna — z guard vs bez

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

3. Method development — SOP vs scratch

Nasza (SOP template)Custom dev
Initial setup1 h (use template)40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)8 h24 h
Dokumentacja2 h (edit template)16 h
Ryzyko OOS w Q1~2%~15%
Total (jednorazowo)

4. Fast gradient (high-throughput) — ROI

Fast (5 min)Standard (23 min)
Runtime/sample5 min23 min
Samples/8h shift
Shifts potrzebnych
Koszt pracy
Savings
Total annual savings:

Häufig gestellte Fragen

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

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 logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=104.10, CAS 623-53-0) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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

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 endDurationSlope (Δ%B/min)Step

Slope & Dwell Volume Test

Slope (Δ%B/min)
Gradient volume (mL)
Dwell vol estimate (mL)
k*·t0 (dla Rs)

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

Snyder-Dolan LSS Model

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

Häufig gestellte Fragen

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

Source: Predictive modeling

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

Source: Snyder Seminar

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

Source: LCGC

Column Choice Dilemma

What to set on the DAD for an unknown compound?

You do not know λ_max. The DAD covers 200–800 nm. Set it wide or narrow? Use bandwidth 4 or 16 nm?

Recommended Columns

A

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

B

Waters XBridge C18

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

C

Phenomenex Kinetex C18

100×4.6 mm · 2.6 μm core-shell · fast

Column Lifetime Rules

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

Häufig gestellte Fragen

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

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

Rule of thumb: analyty MW10000 (białka) → pore 1000 Å. Dla MW=104.10 (CAS 623-53-0) użyj standardowej kolumny C18 100 Å.

Source: Phenomenex Guide

Detection Gotcha

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?

DAD Settings

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

Alternative Detectors

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

Validation Reality Check

Batch release testing per GMP

Release of 5 batches per month. The method must meet USP , ICH Q2(R1), FDA 2015 Guidance. Auditable documentation.

USP <621> + ICH Q2(R1) Criteria

ParameterAcceptanceFormula
Resolution (Rs)≥ 2.02(tR2 − tR1) / (w1 + w2)
Tailing factor (Tf)≤ 1.5W0.05 / (2·f)
Plates (N)≥ 500016·(tR / w)²
RSD (6 injections)≤ 2.0%σ / μ × 100%
Linearity (R²)≥ 0.999080–120% spec, 5 levels

Pre-Flight SST Checklist

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

Regulatory Compliance

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

USP <621> Chromatography Compliant

United States Pharmacopeia General Chapter — requirements for HPLC systems.

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

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

ICH Q2(R1) Method Validation Compliant

International Council for Harmonisation — walidacja metod analitycznych.

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

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

EP 2.2.46 European Pharmacopoeia Compliant

European Pharmacopoeia — chromatographic separation techniques.

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

Reference: EP 11.0, Chapter 2.2.46

JP 2.00 Japanese Pharmacopoeia Compliant

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

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

Reference: JP 18th Edition, General Chapter 2.00

FDA 21 CFR 211 cGMP Compliant

Current Good Manufacturing Practice for pharmaceutical products (USA).

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

Reference: 21 CFR Part 211 — Current Good Manufacturing Practice

ISO 17025 Testing Labs Aligned

International standard for the competence of testing laboratories.

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

Reference: ISO/IEC 17025:2017

Method Comparison Matrix

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

Parametr Nasza metoda ★ USP <621> Literatura Vendor (Agilent)
Kolumna Zorbax Eclipse Plus C18 150×4.6 mm L1 (C18, bonded, 5 μm) 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

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla ethyl methyl carbonate (CAS 623-53-0) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

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

Source: FDA Guidance

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

Source: USP Online

Prep Mistakes That Ruined The Run

Pressure too high — what next?

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

Sample Prep Protocol

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

Why Filter 0.22 μm?

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

Complete Method PDF

Full protocol with all parameters

SOP Template

GMP-compliant SOP template

Validation Protocol

ICH Q2(R1) validation template

Bibliography (.bib)

All references in BibTeX format

Forensische Analyse — echte Fehlschlag-Geschichten Gelernte Lektionen

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

Why am I not seeing any peaks?

Student MSc, UW 2024-10 Poziom 2/5
Was ist passiert:

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.

💡 Lekcja:

Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

Peak tailing ruined my results

Anna K., PhD student, Warszawa 2024-03 Poziom 3/5
Was ist passiert:

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

💡 Lekcja:

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.

Ask about this method

Hallo — ich bin auf alle Szenarien, FAQ und Literatur zu dieser Methode trainiert. Fragen Sie mich alles.

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🔄 Alternatywne produktyMolGod_ALTPROD_1
⚠️ UWAGA NAUKOWA — Single-CAS Integrity
Listed below are OTHER molecules (structural alternatives / Tanimoto similarity). All physicochemical values (MW, pKa, LD50, GHS, spectra) apply to THESE alternatives, NOT the current molecule (CAS 623-53-0). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
Diethyl phthalate (DEP)
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Dioctyl phthalate (DOP)
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Dipropylene glycol monomethyl ether acetate (DPMA)
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Ethyl acrylate (EA)
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Glycidyl methacrylate
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📄 Analysenzertifikate (CoA) CAS 623-53-0 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).

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [Link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [Link ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [Link ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [Link ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [Link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [Link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [Link ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [Link ↗] — US legal mandate (Subpart J — Records and Reports)
  9. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [Link ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [Link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [Link ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [Link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [Link ↗] — Excipient-grade CoA standard for non-API ingredients
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Bibliografie (erweitert) (4)

  1. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Ethylene Carbonate-Free Electrolytes Based on Ethyl Methyl Carbonate for High-Voltage LiCoO2/Si-Graphite Lithium-Ion Batteries.". https://doi.org/10.1021/acsaem.3c02551.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Anion Storage Behavior of Graphite Electrodes in LiBF4/Sulfone/Ethyl Methyl Carbonate Solutions.". https://doi.org/10.1021/acs.langmuir.9b02758.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Unlocking the True Capability of Graphite-Based Dual-Ion Batteries with Ethyl Methyl Carbonate Electrolyte.". https://doi.org/10.1021/acsaem.9b01499.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Synergetic Effect of Ethyl Methyl Carbonate and Trimethyl Phosphate on BF4 Intercalation into a Graphite Electrode.". https://doi.org/10.1021/acs.langmuir.9b00262.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
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📚 REFERENZEN (Gesammelte Bibliografie, Chicago Author-Date) 120 Einträge

Alle wissenschaftlichen Quellen, die in den Akkordeons oben für CAS 623-53-0 zitiert werden.Format: Chicago Manual of Style, 17. Aufl., Autor-Datum-System.

🗄️ Wissenschaftliche Datenbanken

  1. PubChem. n.d. PubChem Compound Summary: CAS 623-53-0. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine.
  2. NIST. n.d. NIST Chemistry WebBook: CAS 623-53-0. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=623-53-0.
  3. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 623-53-0. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  4. 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.

📐 Standards / Richtlinien

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

📖 Bücher

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

📄 Wissenschaftliche Artikel (peer-reviewed)

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

🌐 Websites

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. 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.
  5. 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.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. 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.
  8. ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
  9. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
  10. Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
  11. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
  12. 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.
  13. 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.
  14. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
  15. 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.
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