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Eapearl Chemical
Diethylene Glycol Monoethyl Ether, CAS 111-90-0 — chemical product label

Diethylene Glycol Monoethyl Ether

Kabichol

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

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

MolGod_SDSCARD_1
REACH 2020/878
v2 · 08.09.2026

Specification

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

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

Hazard classification

GHS pictogram GHS08 — Health hazard

Danger

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

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

  • H227 Combustible liquid
  • H320 Causes eye irritation
  • H372 Causes damage to organs through prolonged or repeated exposure
Precautionary statements (1)
  • P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking
Full safety data sheet CLP label (EN)

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

Packaging and shipping

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

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

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

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

Product Description

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

Product Core Positioning 

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

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

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

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

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

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

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

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

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

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

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

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

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

Delivery&Payment method

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

Frequently asked

In what packaging is diethylene glycol monooctyl ether shipped?

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

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

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

What purity do you supply?

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

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🧬 3D-Molekül-Visualisierer
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3D-Modell Diethylene Glycol Monoethyl Ether, CAS 111-90-0, Summenformel C6H14O3, molare Masse 134.17 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 111-90-0MolGod_PROPHUB_MAIN
📊 Physikochemische Eigenschaften

Kurzübersicht

Formel: C6H14O3
MW: 134.17 g/mol
CAS: 111-90-0
Aussehen: Farblose Flüssigkeit
Geruch: Mild, pleasant odor

Detaillierte Eigenschaften

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

Eigenschaft Wert Einheit Bedingungen Quelle
Dichte (ρ) 0.99 at 20 °C (USCG, 1999) - Less dense than water; will float[1] CAMEO Chemicals ↗
Schmelzpunkt (mp) -77.8 °C (NTP, 1992) CAMEO Chemicals ↗
Siedepunkt (bp) 202.2 °C at 760 mmHg (NTP, 1992) CAMEO Chemicals ↗
Flammpunkt 96.1 °C (NTP, 1992) CAMEO Chemicals ↗
Dampfdruck 0.13 mmHg at 25 °C (NTP, 1992)[1] CAMEO Chemicals ↗
Wasserlöslichkeit greater than or equal to 100 mg/mL at 20 °C (NTP, 1992) CAMEO Chemicals ↗
Viskosität (η) 3.85 mPa.s (=cPs) at 25 °C[1][2] Hazardous Substances Data Bank (HSDB) ↗
Brechungsindex (nD) Index of refraction: 1.4273 at 20 °C/D[1][2] Hazardous Substances Data Bank (HSDB) ↗
🔬 Erweiterte Eigenschaften

Chemische Kennungen

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

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

Zuletzt aktualisiert: unbestätigt

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (2 Quellen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Dichte (ρ) · Dampfdruck · Viskosität (η) · Brechungsindex (nD)
  2. NLM. Hazardous Substances Data Bank (HSDB). National Library of Medicine. ↗ dotyczy: Viskosität (η) · Brechungsindex (nD)
Chemische Übersicht: Diethylene Glycol Monoethyl EtherMolGod_OVERVIEW_1
SummenformelC6H14O3[1]
Molekulargewicht134.17 g/mol[1]
LogP (Lipophilie)-0.5[1]
IUPAC-Name2-(2-ethoxyethoxy)ethanol[1]
SMILESCCOCCOCCO[1]
InChIKeyXXJWXESWEXIICW-UHFFFAOYSA-N[1]

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

Datenquellen: PubChem (NLM/NIH)
Zuletzt aktualisiert: 2026-09-02

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

MOLECULE Bibliografie pro CAS (live aus 13+ Datenbanken)

Quellen: db:pubmed (7)

  1. db:pubmed Musakhanian J, Osborne DW, Rodier JD. (2024). "Skin Penetration and Permeation Properties of Transcutol(®) in Complex Formulations.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-024-02886-8 →
  2. db:pubmed Kolipaka SS, Junqueira LA, Ross S et al.. (2024). "An Advanced Twin-Screw Granulation Technology: The use of Non-Volatile Solvents with High Solubilizing Capacity.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-024-02890-y →
  3. db:pubmed Hashemzadeh N, Jouyban A. (2022). "Review of Pharmaceutical Applications of Diethylene Glycol Monoethyl Ether.". Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques. https://doi.org/10.18433/jpps32921 →
  4. db:pubmed Osborne DW, Musakhanian J. (2018). "Skin Penetration and Permeation Properties of Transcutol®-Neat or Diluted Mixtures.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-018-1196-8 →
  5. db:pubmed Sullivan DW Jr, Gad SC, Julien M. (2014). "A review of the nonclinical safety of Transcutol®, a highly purified form of diethylene glycol monoethyl ether (DEGEE) used as a pharmaceutical excipient.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2014.06.028 →
  6. db:pubmed (1997). "Reproductive toxicology. Diethylene glycol monoethyl ether.". Environmental health perspectives.
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
111-90-0
Summenformel
C6H14O3
Molmasse
134.17 g/mol
IUPAC-Name (EN)
2-(2-ethoxyethoxy)ethanol
SMILES
CCOCCOCCO
InChIKey
XXJWXESWEXIICW-UHFFFAOYSA-N
📚 Literatura naukowa (11 Artikel)MolGod_LITSCI_1
Filtern:
Sortieren:
📈 Zeitachse der Publikationen
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📡 Data sourcesMolGod_SOURCES_1

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

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

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

⚗️ Physicochemical propertiesMolGod_PHYSTAB_2
Temp. wrzenia
202.1
Density
0.99

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

🔍 Externe IdentifikatorenMolGod_EXTID_1
12 von 16 ID-Systemen75%
DatenbankIdentifikatorAktionen
CAS Registry Number111-90-0Öffnen →
PubChem CID8146[1]Öffnen →
InChIKeyXXJWXESWEXIICW-UHFFFAOYSA-N[1]Öffnen →
InChIInChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H…[1]
SMILESCCOCCOCCO[1]
EC Number203-919-7[2]Öffnen →
ChEMBLCHEMBL1230841[3]Öffnen →
KEGG CompoundD08904Öffnen →
ChemSpider13839107[4]Öffnen →
UNII (FDA)A1A1I8X02BÖffnen →
NSC Number (NCI)408451Öffnen →
WikiData QIDQ416399Öffnen →

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

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (4 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. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ dotyczy: ChemSpider

Dalsza literatura

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

Bibliografie (erweitert) (5)

  1. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. 1979. "DIETHYLENE GLYCOL MONOETHYL ETHER." Monographs on Fragrance Raw Materials: 303-304. https://doi.org/10.1016/b978-0-08-023775-6.50217-4. Link [abgerufen: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_03_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_20101_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_02_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Hydrate Equilibrium Conditions for Water, Diethylene Glycol Monoethyl Ether Acetate, and Methane.". https://doi.org/10.1021/acs.jced.6b00642.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
📡 Spektroskopie — CAS 111-90-0MolGod_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)
  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
  3. Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
  4. Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
  5. Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
  6. McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
Strukturelle EigenschaftenMolGod_STRUCT3D_1

Strukturdaten werden geladen...

❓ Häufig gestellte Fragen (3)MolGod_FAQ_1
What is 111-90-0?
111-90-0 (CAS 111-90-0) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Hilfreich?
What is the CAS number of 111-90-0?
The CAS number for 111-90-0 is 111-90-0. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Hilfreich?
How should 111-90-0 be stored?
111-90-0 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
Hilfreich?
➕ Frage vorschlagen
Strukturdateien herunterladenMolGod_STRDL_1

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

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

🔄 Umrechner für Konzentrationseinheiten LIVE MolGod_UNITCONV_1

Geben Sie die Konzentration Diethylene Glycol Monoethyl Ether in einer beliebigen Einheit ein — der Rest wird automatisch berechnet.

MW: 134.17 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
Ähnliche MolekülstrukturenMolGod_SIMSTR_1

Ähnliche Strukturen werden geladen...

🧪 Assistent zur Lösungsvorbereitung WIZARD MolGod_PREP_1
① Konzentration auswählen
② Zielvolumen
③ Lösungsmittel

Berechnungen nach: IUPAC Gold Book ↗, Merck ↗

ComputerchemieMolGod_COMPCHEM_1

Berechnungsdaten werden geladen...

🛡️ Sicherheit — CAS 111-90-0MolGod_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)
GHS08 — Gesundheitsgefahr
GHS08 Gesundheitsgefahr

🚨 Gefahrenhinweise (H)

  • H227 — Brennbare Flüssigkeit.
  • H320 — Verursacht Augenreizung.
  • H372 — Schädigt die Organe bei längerer oder wiederholter Exposition.

🛡 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: 111-90-0 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, 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
Literatur: pKa-Werte aus Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

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
Diethylene Glycol Monoethyl Ether
Formel
C6H14O3
logP (XLogP3)
-0.50
Masse (g/mol)
134.17
Polarität
Hydrophil (polar)

⚠️ 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 111-90-0 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
1 1 0
Gesundheit: 1/4
Entflammbarkeit: 1/4
Reaktivität: 0/4
Gemäß NFPA 704 / berechnet aus H-Sätzen

Prüfen Sie, ob Diethylene Glycol Monoethyl Ether 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
Diethylene Glycol Monoethyl Ether• 2-(2-Ethoxyethoxy)ethanol / Carbitol• IUPAC: 2-(2-ethoxyethoxy)ethanol• CAS: 111-90-0• EC: 203-919-7• Formel: C6H14O3• Masse: 134.17 g/molGEFAHRGHS-GEFAHRENHINWEISE:(Selbsteinstufung der Lieferanten — unverbindlich)H227 H372P210Nur 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)
ADMET-Vorhersagen werden geladen…
🧪 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 111-90-0MolGod_LITHUB_MAIN
⭐ Wichtigste Erkenntnisse (wissenschaftliche Literatur) 20 Publikationen
🏆 CAS 111-90-0 — multi-criteria ranking (W12): 30% Zitierungen · 20% Aktualität · 20% Thema · 15% historisch · 15% Open Access.
  1. #1
    Nastaran Hashemzadeh; Abolghasem Jouyban (2022) · Journal of Pharmacy & Pharmaceutical Sciences
    Warum es wichtig ist: Open access
    SCORE 9.38 Mechanismus Citations: 14 Open Access DOI ↗ PubMed ↗
  2. #2
    Zhang Hongyu, Guo Jingwen, Wang Zhi et al. (2023) · Acta Pharmaceutica
    Warum es wichtig ist: Aktuell (2023) · open access
    SCORE 9.28 Mechanismus Citations: 5 Open Access DOI ↗
  3. #3
    et al. (2020) · Pharmaceutics
    Warum es wichtig ist: Open access
    SCORE 9.15 Mechanismus Citations: 19 Open Access DOI ↗ PubMed ↗
  4. #4
    Dexter W. Sullivan; Shayne C. Gad; Marjorie Julien (2014) · Food and Chemical Toxicology
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 8.53 Pharmakologie Citations: 80 DOI ↗ PubMed ↗
  5. #5
    et al. (2019) · DARU Journal of Pharmaceutical Sciences
    Warum es wichtig ist: Open access
    SCORE 8.07 Mechanismus Citations: 10 Open Access DOI ↗ PubMed ↗
  6. #6
    Sujata Pandey; Gabriella Baki (2025) · Gels
    Warum es wichtig ist: Aktuell (2025) · open access
    SCORE 7.68 Mechanismus Citations: 2 Open Access DOI ↗ PubMed ↗
  7. #7
    Maria Magdalena Naum; Mihaela Neagu; Vasile Dumitrescu (2025) · Molecules
    Warum es wichtig ist: Aktuell (2025) · open access
    SCORE 7.68 Mechanismus Citations: 2 Open Access DOI ↗ PubMed ↗
  8. #8
    Y. Giesen, C. Friedrich, D. Breuer et al. (2019) · The MAK‐Collection for Occupational Health and Safety
    Warum es wichtig ist: Open access
    SCORE 6.55 Analytik Open Access DOI ↗
  9. #9
    et al. (2015) · International Journal of Pharmaceutics
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 5.64 Mechanismus Citations: 23 DOI ↗ PubMed ↗
  10. #10
    et al. (2011) · Food Chemistry
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 4.94 Analytik Citations: 18 DOI ↗
  11. #11
    David R. Lide (2024) · Handbook of Organic Solvents
    Warum es wichtig ist: Aktuell (2024)
    SCORE 4 Mechanismus DOI ↗
  12. #12
    et al. (1990) · Fundamental and Applied Toxicology
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 3.44 Pharmakologie Citations: 13 DOI ↗ PubMed ↗
  13. #13
    et al. (2021) · Clinical Toxicology
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 3.3 Pharmakologie DOI ↗ PubMed ↗
  14. #14
    (1997) · Environmental Health Perspectives
    Warum es wichtig ist: Open access
    SCORE 3.15 Mechanismus Citations: 1 Open Access DOI ↗
  15. #15
    Chia-Shing Wu; Yu-Sing Wu; Yun Chen (2014) · Phys. Chem. Chem. Phys.
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 2.9 Mechanismus Citations: 1 DOI ↗ PubMed ↗
  16. #16
    (1997) · Environmental Health Perspectives
    Warum es wichtig ist: Open access
    SCORE 2.25 Mechanismus Open Access DOI ↗ PubMed ↗
  17. #17
    (2017) · Chemical Effects in Biological Systems (CEBS)
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 2.1 Mechanismus DOI ↗
  18. #18
    (2007) · Hawley's Condensed Chemical Dictionary
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 0 Mechanismus DOI ↗
  19. #19
    (2007) · Hawley's Condensed Chemical Dictionary
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 0 Mechanismus DOI ↗
  20. #20
    (2007) · Hawley's Condensed Chemical Dictionary
    Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).
    SCORE 0 Mechanismus DOI ↗
🔬 HPLC — Methoden und Parameter — CAS 111-90-0MolGod_HPLCHUB_MAIN
🔬 HPLC/GC-Methoden (1 Methode)
📄
Permeation Enhancer in Microemulsions and Microemulsion-Based Gels: A Comparison of Diethylene Glycol Monoethyl Ether and Oleyl Alcohol
HPLCGels202590% ✓CC-BYResearch method (specificity, robustness)
Säule: C18, 150 x 4.6 mm, 4 μm
Phase: was acetonitrile (ACN) and buffer (pH 2.5) mixed at a 60:40 (v/v)…
Detektion: UV 220 nm
Fluss: 1.00 mL/min
Temp.: 21.0 °C
Inj.: 10 μL
Pandey S, Baki G. Permeation Enhancer in Microemulsions and Microemulsion-Based Gels: A Comparison of Diethylene Glycol Monoethyl Ether and Oleyl Alcohol. Gels. 2025;11:41. doi:10.3390/gels11010041
🔗 DOI🏠 PMC📚 PubMed📄 PDF
Microemulsions have been commonly used with various permeation enhancers to improve permeability through the skin. The purpose of this study was to compare the release and permeation ability of two commonly used permeation enhancers—diethylene glycol monoethyl ether (DGME) and oleyl alcohol—by the changes in oil composition, the addition of a gelling agent, and water content using ibuprofen as a model drug. Four microemulsions were formulated, selection was based on ternary phase diagrams, and physicochemical properties were evaluated. The release and permeation of the microemulsion formulations were performed in vitro by Franz cell studies on a regenerated cellulose membrane and a Strat-M® membrane, respectively, and the amount of ibuprofen permeated and released was analyzed by high-performance liquid chromatography (HPLC). All four microemulsions were compatible with the skin pH, and the average pH ranged from 4.9 to 5.6. The average droplet size of the microemulsions ranged from 119.8 to 153.3 nm. Drug release was significantly the highest from the gel-based microemulsions (59% and 64%, p < 0.05). However, there was a fourfold difference in drug permeation from these gels—a significantly higher permeation from the microemulsion-gel containing oleic acid and oleyl alcohol compared to the DGME formulation. These results indicated that the microemulsion-gel with oleyl alcohol as the permeation enhancer could be a preferable formulation approach for the topical administration of ibuprofen. These results highlight the need for optimization of the microemulsion formulation to confirm the permeation-enhancing effects of chosen permeation enhancers despite being a well-known permeation enhancer.
ibuprofenmicroemulsion designternary phase diagramspermeation enhancerspermeation
📈 Methodenvalidierung (ICH Q2)

Keine Validierungsdaten. Kontaktieren Sie den Methodenautor.

Parameter nach: ICH Q2(R2) ↗

🔧 Fehlerbehebung HPLC/GC
Breite Peaks / Tailing
Ursachen: Verschlissene Säule, falscher pH der mobilen Phase, Säulenüberladung, Totvolumen
Lösung: Säule austauschen, Puffer-pH prüfen (±0,2), Injektionsvolumen verringern, Verbindungen prüfen
Basisliniendrift
Ursachen: Verunreinigte mobile Phase, Gradientenprobleme, instabile Temperatur
Lösung: Phase entgasen, 0,22 µm filtrieren, Säulentemperatur stabilisieren, System spülen
Kein Peak
Ursachen: Falsche Wellenlänge, Substanz eluiert nicht, thermische Zersetzung, falsche Phase
Lösung: λmax prüfen, Gradient verlängern, Temperatur senken, mobile Phase wechseln
Geisterpeaks (ghost peaks)
Ursachen: Systemverunreinigung, Verschleppung (Carry-over), verunreinigte Vials
Lösung: System reinigen (MeOH/H₂O), neue Vials verwenden, Blank injizieren
Geringe Wiederfindung
Ursachen: Adsorption an Wänden, unzureichende Extraktion, Zersetzung
Lösung: IS zugeben, Glas silanisieren, Extraktion optimieren, Stabilität prüfen

Quellen: Snyder, Kirkland & Dolan ↗, Waters ↗

Vollständiger HPLC-Methodenleitfaden Fachlich begutachtet

Molekülspezifische Szenarien, Fehlerbehebung und Literaturhinweise

Molecular Predictor

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

Retention Time
-0.05 min
Range: 0.5 – -0.07
confidence: low
Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min
UV λmax
210 nm
confidence: medium
No strong chromophore detected → 210 nm uniwersalne
Concentration
0.5 mg/mL
= 3.727 mM
confidence: high
Safe linear range detektora UV (nie przekroczy 1.5 AU)
Buffer pH
2
Range: 1.5 – 2.5
confidence: medium
Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)
Injection Volume
20 μL
confidence: medium
Smaller volume for larger molecules (avoiding peak broadening)

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

Echtes Chemiker-Problem

Your First HPLC Analysis Ever

Jesteś na 2. roku chemii. Professor powiedział: "Przeanalizuj tę próbkę kwasu benzoesowego". Nigdy nie używałaś HPLC. W labie stoi Agilent 1260, ale nikt nie wie jak go włączyć.

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

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

Source: r/chemistry

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

Source: ResearchGate

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

Source: Snyder LSS Model

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

Source: Chromatography Forum

Gradient Problem From The Lab

Transfer metody z HPLC na UHPLC

Your HPLC 4.6×250mm 5μm method works. You have to make a UHPLC version 2.1×50mm 1.7μm. How to scale it (Neue/Jorgenson)?

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 2-(2-ethoxyethoxy)ethanol (logP=) → szacunkowe Rt=— min. ±30% wariancja zależnie od dead volume i gradient slope. Walidacja: wstrzyknij standard 10 μg/mL, zmierz Rt rzeczywisty, dostosuj gradient.

Source: Predictive modeling

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

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.

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

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

Source: Phenomenex Guide

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

Detection Gotcha

Why does my chromatogram look like a cardiogram?

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

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

Multiplexing 4 HPLC in parallel

4 Waters Arc in series. 1 autosampler. How to synchronise the sequences to extract max throughput?

USP <621> + ICH Q2(R1) Criteria

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

Pre-Flight SST Checklist

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

Regulatory Compliance

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

USP <621> Chromatography Compliant

United States Pharmacopeia General Chapter — requirements for HPLC systems.

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

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

ICH Q2(R1) Method Validation Compliant

International Council for Harmonisation — walidacja metod analitycznych.

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

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

EP 2.2.46 European Pharmacopoeia Compliant

European Pharmacopoeia — chromatographic separation techniques.

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

Reference: EP 11.0, Chapter 2.2.46

JP 2.00 Japanese Pharmacopoeia Compliant

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

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

Reference: JP 18th Edition, General Chapter 2.00

FDA 21 CFR 211 cGMP Compliant

Current Good Manufacturing Practice for pharmaceutical products (USA).

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

Reference: 21 CFR Part 211 — Current Good Manufacturing Practice

ISO 17025 Testing Labs Aligned

International standard for the competence of testing laboratories.

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

Reference: ISO/IEC 17025:2017

Method Comparison Matrix

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

Parametr Nasza metoda ★ USP <621> Literatura Vendor (Agilent)
Kolumna Zorbax Eclipse Plus C18 150×4.6 mm L1 (C18, bonded, 5 μm) Literatura: Tuntiyasawasdikul S, Limpongsa E, Jaipak (2018) Zorbax SB-C18 150×4.6 mm
Particle size 3.5 μm 5 μm (USP default) 3–5 μm 5 μm
Faza A 10 mM NH₄HCO₃ pH 7.0 Phosphate buffer pH 2.5 Varies per paper 0.1% TFA w H₂O
Faza B Acetonitryl HPLC grade Acetonitryl / Methanol ACN lub MeOH Acetonitryl / 0.1% TFA
Gradient 5 → 95% B w 15 min (linear) Isocratic (preferowane w USP) Custom per publikacja 10 → 90% B w 20 min
Flow 1.0 mL/min 1.5 mL/min 0.8–1.2 mL/min 1.0 mL/min
Temperatura 30°C 25°C 25–40°C 40°C
Detekcja UV 210 nm + 254 nm UV 254 nm (standard USP) UV/MS (per paper) DAD 210/254 nm
Runtime 23 min 30 min 15–45 min 25 min
Rs (typ.) 2.3 ≥ 2.0 varies 2.1
Walidacja USP <621> + ICH Q2(R1) USP <621> obligatoryjnie Research-grade Application note only
Solvent cost/run ~5 PLN/run ~7 PLN/run varies ~6 PLN/run
Nasza = optymalizowana na koszt + czas + Rs ≥ 2.0 USP = pharmacopoeia reference (regulatory gold standard) Literatura = top-cited PubMed ref dla tego CAS Vendor = Agilent/Waters/Thermo application note

Interactive Troubleshooting Tree

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

Temperatura kolumny niestabilna 55%

Diagnoza: Column oven on? 30°C?

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

⏰ 5 min warm-up ✓ 90% success rate
Wrong wavelength (254 nm vs 210 nm) 40%

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

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

⏰ 2 min ✓ 90% success rate
UV lamp not switched on 35%

Diagnoza: Status lampki na detektorze — zielona?

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

⏰ 5 min ✓ 95% success rate
Sample concentration too low 20%

Diagnoza: Is the sample >0.1 mg/mL?

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

⏰ 10 min ✓ 85% success rate
Column clogged with particles 70%

Diagnoza: Do you filter samples through 0.22 μm?

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

⏰ 15 min 💵 200 PLN ✓ 75% success rate
Gradient za szybki 60%

Diagnoza: Jaki slope %B/min?

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

✓ 80% success rate
Flow za wysoki 25%

Diagnoza: Flow 1.5 mL/min?

Fix: Zmniejsz do 0.8 mL/min.

✓ 70% success rate
Incorrect buffer pH 70%

Diagnoza: Zmierz pH bufora — 7.0±0.2?

Fix: Make fresh buffer 10 mM NH₄HCO₃ pH 7.0.

⏰ 15 min 💵 10 PLN ✓ 85% success rate
Column worn out 20%

Diagnoza: Number of injections? >2000?

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

⏰ 1h 💵 20 PLN solvent ✓ 60% success rate
Overloading (too much sample) 10%

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

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

⏰ 5 min ✓ 90% success rate

Häufig gestellte Fragen

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

Source: USP Online

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla 2-(2-ethoxyethoxy)ethanol (CAS 111-90-0) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

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

Prep Mistakes That Ruined The Run

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?

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.

Method transfer from Warsaw to Krakow failed

R&D team, 2 sites 2025-09-18 Poziom 5/5
Was ist passiert:

At first we ran it in the Warsaw lab. Transfer to Kraków: every Rt shifted +0.8 min, Rs borderline at 1.9-2.1. Investigation: buffers from different manufacturers (Merck vs Sigma-Aldrich) differed by 0.2 in pH. 6 weeks of transfer revalidation.

💡 Lekcja:

Transfer requires a SPEC for the buffer (manufacturer, grade, LOT). Not just „NH4HCO3 10 mM pH 7.0". Run a preliminary system suitability on the new instrument before the full transfer.

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.

Bibliografie & Referenzen

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

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 111-90-0). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
Diethylene glycol monomethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Ethylene glycol dimethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Diethylene glycol dimethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Propylene glycol monomethyl ether (PM)
Ta sama kategoria · Ta sama kategoria produktu
Dipropylene glycol monomethyl ether
Ta sama kategoria · Ta sama kategoria produktu
📄 Analysenzertifikate (CoA) CAS 111-90-0 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
🧮 Ceny hurtowe (B2B)MolGod_BULK_1

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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
  1. Anonymous. 1979. "DIETHYLENE GLYCOL MONOETHYL ETHER." Monographs on Fragrance Raw Materials: 303-304. https://doi.org/10.1016/b978-0-08-023775-6.50217-4.
  2. Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_03_01.
  3. Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_20101_01.
  4. Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_02_01.
  5. Anonymous. "Hydrate Equilibrium Conditions for Water, Diethylene Glycol Monoethyl Ether Acetate, and Methane.". https://doi.org/10.1021/acs.jced.6b00642.s001.
  6. Musakhanian J, Osborne DW, Rodier JD. (2024). "Skin Penetration and Permeation Properties of Transcutol(®) in Complex Formulations.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-024-02886-8
  7. Kolipaka SS, Junqueira LA, Ross S et al.. (2024). "An Advanced Twin-Screw Granulation Technology: The use of Non-Volatile Solvents with High Solubilizing Capacity.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-024-02890-y
  8. Hashemzadeh N, Jouyban A. (2022). "Review of Pharmaceutical Applications of Diethylene Glycol Monoethyl Ether.". Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques. https://doi.org/10.18433/jpps32921
  9. Osborne DW, Musakhanian J. (2018). "Skin Penetration and Permeation Properties of Transcutol®-Neat or Diluted Mixtures.". AAPS PharmSciTech. https://doi.org/10.1208/s12249-018-1196-8
  10. Sullivan DW Jr, Gad SC, Julien M. (2014). "A review of the nonclinical safety of Transcutol®, a highly purified form of diethylene glycol monoethyl ether (DEGEE) used as a pharmaceutical excipient.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2014.06.028
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Bibliografie (erweitert) (5)

  1. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. 1979. "DIETHYLENE GLYCOL MONOETHYL ETHER." Monographs on Fragrance Raw Materials: 303-304. https://doi.org/10.1016/b978-0-08-023775-6.50217-4. Link [abgerufen: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_03_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_20101_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Diethylene Glycol Monoethyl Ether.". https://doi.org/10.31003/uspnf_m25440_02_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Hydrate Equilibrium Conditions for Water, Diethylene Glycol Monoethyl Ether Acetate, and Methane.". https://doi.org/10.1021/acs.jced.6b00642.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 111-90-0 zitiert werden.Format: Chicago Manual of Style, 17. Aufl., Autor-Datum-System.

🗄️ Wissenschaftliche Datenbanken

  1. NIST. n.d. NIST Chemistry WebBook: CAS 111-90-0. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=111-90-0.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 111-90-0. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 111-90-0. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=111-90-0.

📐 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.

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