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Eapearl Chemical
Diethylene Glycol Dimethyl Ether — label CAS 111-96-6

Diethylene glycol dimethyl ether

DEGDME

CAS 111-96-6 EC 203-924-4 C6H14O3 Ether SDS published CLP Danger
MolGod_SDSCARD_1
REACH 2020/878
v2 · 08.09.2026

Specification

Product NameDiethylene glycol dimethyl ether
Other NamesDEGDME
CAS No.111-96-6
EINECS No.203-924-4
MFC6H14O3
Molecular weight134.17
Purity99.0%
AppearanceColorless liquid
Density0.944 g/mL at 20 °C (lit.)0.939 g/mL at 25 °C (lit.)
Melting point-64 °C (lit.)
Boiling point162 °C (lit.)
Flashing point134.6°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 GHS02 — Flammable GHS pictogram GHS08 — Health hazard

Danger

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

  • H226 Flammable liquid and vapour
  • H360FD May damage fertility. May damage the unborn child
  • EUH019 May form explosive peroxides.
Precautionary statements (1)
  • P203 Obtain, read and follow all safety instructions before use
Full safety data sheet CLP label (EN)

European Chemicals Agency. "bis (2-methoxyethyl) ether, Index No. 603-139-00-0." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

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

Packaging and shipping

Drum180 kg
IBC Drum1127 kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Diethylene glycol dimethyl ether
Diethylene glycol dimethyl ether
Diethylene glycol dimethyl ether
Diethylene glycol dimethyl ether

Diethylene glycol dimethyl ether (DEGDME) is an important member of the ethylene glycol dimethyl ether family. It is renowned for its high boiling point (~162°C), high flash point (~57-70°C), wide liquid range, and excellent chemical and electrochemical stability. It can effectively solvate alkali metal ions and exhibits outstanding stability towards strong basic organometallic reagents (such as Grignard reagents, organic lithium). These properties make it the preferred solvent for cutting-edge applications that aim for high operational safety, high-temperature reaction conditions, long-lasting process duration, and high-voltage electrochemical window.

Diethylene glycol dimethyl ether (DEGDME) high-boiling point non-polar polar solvent solution, providing support for applications such as electrolyte, sis, Diethylene glycol dimethyl ether (DEGDME) high-boiling point non-polar polar solvent solution, providing support for applications such as electrolyte, sis, Diethylene glycol dimethyl ether (DEGDME) high-boiling point non-polar polar solvent solution, providing support for applications such as electrolyte, sis,

Diethylene glycol dimethyl ether (DEGDME) high-boiling point non-polar polar solvent solution, providing support for applications such as electrolyte, sis,

Product Description

Anhui Eapearl Chemical Co., Ltd., as a professional supplier in the fields of specialty chemicals and high-purity solvents in China, relying on advanced production purification technology and strict quality management system, now offers the market high-purity and high-performance diethylene glycol dimethyl ether (DEGDME). We are committed to transforming this top-notch non-protonic polar solvent, which has high boiling point, high flash point, wide electrochemical window and excellent chemical stability, into a key enabling material for achieving technological breakthroughs and process optimization in next-generation high-security batteries, high-end organic synthesis and precision manufacturing and other fields. 

Product Core Positioning 

Diethylene glycol dimethyl ether (DEGDME) is an important member of the ethylene glycol dimethyl ether family. It is renowned for its high boiling point (~162°C), high flash point (~57-70°C), wide liquid range, and excellent chemical and electrochemical stability. It can effectively solvate alkali metal ions, and exhibits outstanding stability towards strong basic organometallic reagents (such as Grignard reagents, organic lithium). These properties make it the preferred solvent for cutting-edge applications that aim for high operational safety, high-temperature reaction conditions, long-lasting process duration, and high-voltage electrochemical window.

Core application value and solutions 

Key solvent for the new generation of high-security battery electrolyte: As the core solvent or key additive for the electrolytes of lithium-sulfur batteries, sodium-ion batteries, potassium-ion batteries, and high-pressure lithium-metal batteries, DEGDME, due to its high boiling point providing high thermal stability, high flash point ensuring high operational safety, and its excellent solubility and inhibition effect on polysulfides, can significantly enhance the cycle life, capacity retention rate, and high-temperature safety of the batteries. Its wide electrochemical window (up to over 4.3V) enables it to be compatible with higher-voltage cathode materials, making it one of the key materials for developing battery systems with high energy density, long cycle life, and high safety. 

High-end organic synthesis and pharmaceutical research: In Grignard reactions, organic lithium/sodium reactions, anionic polymerization, coordination polymerization, and various condensation and alkylation reactions that require high-temperature conditions, DEGDME is an ideal high-boiling-point non-polar reaction medium. It can effectively stabilize active metal-organic reagents, increase reaction rates and yields, and due to its high boiling point, allows reactions to proceed at higher temperatures to accelerate kinetics. It is widely used in the synthesis of pharmaceutical intermediates, pesticide raw materials, and high-performance polymers (such as SBS, polyurethanes). 

Special industrial cleaning and electronic chemicals: Thanks to its strong dissolving power, high boiling point (low volatility), and low residue properties, high-purity DEGDME can be used for long-term precise cleaning in the manufacturing processes of semiconductor chips, display panels, and precision instruments, effectively removing residual photoresist, resin, grease, and soldering flux, meeting the strict requirements of high-end manufacturing for process windows and cleanliness. 

Gas purification and special functional fluids: Due to their selective physical absorption capabilities for acidic gases (such as H₂S, CO₂), they can be used as efficient absorbents in processes such as natural gas desulfurization and syngas purification, featuring large absorption capacity and low regeneration energy consumption. Additionally, they can also be used to prepare special high-temperature heat-conducting fluids or hydraulic fluids. 

High-end coatings, inks and resin processing additives: As high-boiling-point solvents, they can be used in special coating and ink formulations that require slow evaporation to achieve a smooth coating. In resin synthesis, they can be used as reactive solvents or leveling aids to improve system compatibility and reduce processing viscosity. 

Anhui Eapearl Chemical Co., Ltd., with high-end specialty solvents such as diethylene glycol dimethyl ether (DEGDME), has always focused on the demands of cutting-edge technology and precision manufacturing. We are not only a supplier of raw materials, but also a reliable partner for you to overcome technical challenges and achieve product innovation. Choosing us means choosing professionalism, safety and excellence. 

Source

Diethylene glycol dimethyl ether (DEGDME) high-boiling point non-polar polar solvent solution, providing support for applications such as electrolyte, sis,

Diethylene glycol dimethyl ether (DEGDME) high-boiling point non-polar polar solvent solution, providing support for applications such as electrolyte, sis,

Delivery&Payment method

Diethylene glycol dimethyl ether (DEGDME) high-boiling point non-polar polar solvent solution, providing support for applications such as electrolyte, sis,

Frequently asked

In what packaging is Diethylene glycol dimethyl 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 dimethyl ether?

Yes. A full safety data sheet for CAS 111-96-6 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.

Technical reading on Diethylene glycol dimethyl ether

Diglyme: H360FD, peroxides, NMP swaps

Diglyme is a high-boiling aprotic ether with a harmonised H360FD classification and EUH019 peroxide risk — what buyers…

Article

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🧬 3D Molecule Visualizer
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3D model Diglyme, CAS 111-96-6, molecular formula C6H14O3, molar mass 134.17 g/mol

Data transcribed from regulatory registers and technical literature, with the source and edition stated. It does not replace the supplier's safety data sheet. Fields without a recorded source are marked as such.

📊 Physicochemical data — CAS 111-96-6MolGod_PROPHUB_MAIN
📊 Physicochemical properties

Quick Reference

Formula: C6H14O3
MW: 134.17 g/mol
CAS: 111-96-6
Appearance: Colorless liquid
Odour: Mild odor

Detailed Properties

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

Property Value Unit Conditions Source
Density (ρ) 0.945 at 20 °C (USCG, 1999) - Less dense than water; will float[1] CAMEO Chemicals ↗
Melting Point (mp) -67.8 °C (NTP, 1992) CAMEO Chemicals ↗
Boiling Point (bp) 321 to 162.2 °C at 760 mmHg ; 116.1 °C at 200 mmHg; 75 °C at 35 mmHg; 20 °C at 3 mmHg (NTP, 1992) CAMEO Chemicals ↗
Flash Point 153 to 70 °C (NTP, 1992) CAMEO Chemicals ↗
Vapor Pressure 2.96 [mmHg][1] Haz-Map, Information on Hazardous Chemicals and Occupational Diseases ↗
Water Solubility Miscible (NTP, 1992) CAMEO Chemicals ↗
Viscosity (η) 1.089 cP at 20 °C[1][2] Hazardous Substances Data Bank (HSDB) ↗
Refractive Index (nD) Index of refraction: 1.4097 at 20 °C/D[1][2] Hazardous Substances Data Bank (HSDB) ↗
🔬 Advanced Properties

Chemical Identifiers

SMILES: COCCOCCOC
InChI: InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
InChIKey: SBZXBUIDTXKZTM-UHFFFAOYSA-N

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

Last updated: unconfirmed

📚 Scientific references (Chicago Author-Date) (2 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Density (ρ) · Vapor Pressure · Viscosity (η) · Refractive Index (nD)
  2. NLM. Hazardous Substances Data Bank (HSDB). National Library of Medicine. ↗ dotyczy: Viscosity (η) · Refractive Index (nD)
Chemical Overview: DiglymeMolGod_OVERVIEW_1
Molecular formulaC6H14O3[1]
Molecular weight134.17 g/mol[1]
LogP (lipophilicity)-0.4[1]
IUPAC name1-methoxy-2-(2-methoxyethoxy)ethane[1]
SMILESCOCCOCCOC[1]
InChIKeySBZXBUIDTXKZTM-UHFFFAOYSA-N[1]

Synonyms: Diglyme · 111-96-6 · 1-Methoxy-2-(2-methoxyethoxy)ethane · Bis(2-methoxyethyl) ether · DIETHYLENE GLYCOL DIMETHYL ETHER

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

📚 Scientific references (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Molecular formula · Molecular weight · LogP (lipophilicity) · IUPAC name · SMILES · InChIKey

SCIENTIFIC RESEARCH

[1]Europe PMC2026
Na Battery Electrolytes Prepared by Dissolution of Commercial Polymers in NaPF6-Diglyme.
et al.. (2026). "Na Battery Electrolytes Prepared by Dissolution of Commercial Polymers in NaPF6-Diglyme.". https://doi.org/10.1021/acsapm.6c00803
Go to full study ↗
[2]CrossRef2025
Review for "Magnesium Perfluorinated Pinacolatoborate in Diglyme: Understanding Microscopic Structure in Rechargeable Magnesium Batteries"
(2025). "Review for "Magnesium Perfluorinated Pinacolatoborate in Diglyme: Understanding Microscopic Structure in Rechargeable Magnesium Batteries"". https://doi.org/10.1039/d5cp02632f/v1/review2
Go to full study ↗
[3]CrossRef2025
Review for "Magnesium Perfluorinated Pinacolatoborate in Diglyme: Understanding Microscopic Structure in Rechargeable Magnesium Batteries"
(2025). "Review for "Magnesium Perfluorinated Pinacolatoborate in Diglyme: Understanding Microscopic Structure in Rechargeable Magnesium Batteries"". https://doi.org/10.1039/d5cp02632f/v2/review1
Go to full study ↗
[4]Europe PMC2023
Infrared Spectroscopy of Li+ Solvation in Diglyme: Ab Initio Molecular Dynamics and Experiment.
et al.. (2023). "Infrared Spectroscopy of Li+ Solvation in Diglyme: Ab Initio Molecular Dynamics and Experiment.". https://doi.org/10.1021/acs.jpcb.3c05612
Go to full study ↗
[5]Europe PMC2023
Entropic Contributions to Sodium Solvation and Solvent Stabilization upon Electrochemical Sodium Deposition from Diglyme and Propylene Carbonate Electrolytes.
et al.. (2023). "Entropic Contributions to Sodium Solvation and Solvent Stabilization upon Electrochemical Sodium Deposition from Diglyme and Propylene Carbonate Electrolytes.". https://doi.org/10.100
Go to full study ↗
[6]Europe PMC2022
An ultrastable thiolate/diglyme ligated cluster: Au20(PET)15(DG)2.
et al.. (2022). "An ultrastable thiolate/diglyme ligated cluster: Au20(PET)15(DG)2.". https://doi.org/10.1039/d2nr02426h
Go to full study ↗
[7]Europe PMC2022
Effect of Concentration and Temperature on the Structure and Ion Transport in Diglyme-Based Sodium-Ion Electrolyte.
et al.. (2022). "Effect of Concentration and Temperature on the Structure and Ion Transport in Diglyme-Based Sodium-Ion Electrolyte.". https://doi.org/10.1021/acs.jpcb.2c00557
Go to full study ↗
[8]Europe PMC2022
Fully Active Bimetallic Phosphide Zn0.5Ge0.5P: A Novel High-Performance Anode for Na-Ion Batteries Coupled with Diglyme-Based Electrolyte.
et al.. (2022). "Fully Active Bimetallic Phosphide Zn0.5Ge0.5P: A Novel High-Performance Anode for Na-Ion Batteries Coupled with Diglyme-Based Electrolyte.". https://doi.org/10.1021/acsami.2c03813
Go to full study ↗
📚 Scientific references (Chicago Author-Date) 17 refs · 2 baz

MOLECULE Per-CAS bibliography (live from 13+ databases)

Sources: db:Europe PMC (15) · db:crossref (2)

  1. db:Europe PMC et al.. (2026). "Na Battery Electrolytes Prepared by Dissolution of Commercial Polymers in NaPF6-Diglyme.". https://doi.org/10.1021/acsapm.6c00803 →
  2. db:crossref (2025). "Review for "Magnesium Perfluorinated Pinacolatoborate in Diglyme: Understanding Microscopic Structure in Rechargeable Magnesium Batteries"". https://doi.org/10.1039/d5cp02632f/v1/review2 →
  3. db:crossref (2025). "Review for "Magnesium Perfluorinated Pinacolatoborate in Diglyme: Understanding Microscopic Structure in Rechargeable Magnesium Batteries"". https://doi.org/10.1039/d5cp02632f/v2/review1 →
  4. db:Europe PMC et al.. (2023). "Infrared Spectroscopy of Li+ Solvation in Diglyme: Ab Initio Molecular Dynamics and Experiment.". https://doi.org/10.1021/acs.jpcb.3c05612 →
  5. db:Europe PMC et al.. (2023). "Entropic Contributions to Sodium Solvation and Solvent Stabilization upon Electrochemical Sodium Deposition from Diglyme and Propylene Carbonate Electrolytes.". https://doi.org/10.1002/anie.202301253 →
  6. db:Europe PMC et al.. (2022). "An ultrastable thiolate/diglyme ligated cluster: Au20(PET)15(DG)2.". https://doi.org/10.1039/d2nr02426h →
  7. db:Europe PMC et al.. (2022). "Effect of Concentration and Temperature on the Structure and Ion Transport in Diglyme-Based Sodium-Ion Electrolyte.". https://doi.org/10.1021/acs.jpcb.2c00557 →
  8. db:Europe PMC et al.. (2022). "Fully Active Bimetallic Phosphide Zn0.5Ge0.5P: A Novel High-Performance Anode for Na-Ion Batteries Coupled with Diglyme-Based Electrolyte.". https://doi.org/10.1021/acsami.2c03813 →
  9. db:Europe PMC et al.. (2021). "New Diglyme-based Gel Polymer Electrolytes for Na-based Energy Storage Devices.". https://doi.org/10.1002/cssc.202101445 →
  10. db:Europe PMC et al.. (2019). "Stable and Unstable Diglyme-Based Electrolytes for Batteries with Sodium or Graphite as Electrode.". https://doi.org/10.1021/acsami.9b06760 →
  11. db:Europe PMC (2017). "Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.". https://doi.org/10.1002/cphc.201701169 →
  12. db:Europe PMC et al.. (2015). "Synergetic role of Li(+) during Mg electrodeposition/dissolution in borohydride diglyme electrolyte solution: voltammetric stripping behaviors on a Pt microelectrode indicative of Mg-Li alloying and facilitated dissolution.". https://doi.org/10.1021/am507375t →
  13. db:Europe PMC (2015). "A Combined Experimental and Computational Study of an Aluminum Triflate/Diglyme Electrolyte.". https://doi.org/10.1021/acs.jpcb.5b08501 →
  14. db:Europe PMC (2015). "Syntheses and crystal structures of vanadium and iron chloride complexes with diglyme.". https://doi.org/10.17344/acsi.2014.1210 →
  15. db:Europe PMC et al.. (2010). "Heterometallic Na-Y(Ln) trifluoroacetate diglyme complexes as novel single-source precursors for upconverting NaYF4 nanocrystals co-doped with Yb and Er/Tm ions.". https://doi.org/10.1039/b921474g →
  16. db:Europe PMC et al.. (1999). "Subchronic inhalation toxicity of diglyme.". https://doi.org/10.1016/s0278-6915(98)00096-9 →
  17. db:Europe PMC et al.. (1998). "Developmental toxicity of diglyme by inhalation in the rat.". https://doi.org/10.3109/01480549809011642 →
Regulatory status of the substance
This substance is subject to regulatory requirements: hazardous waste management (BDO register). Details in the \"Regulatory Status (REACH/ECHA/CLP)\" section and on the SDS. Regulatory information — does not restrict purchase in this store.
🧮 Stoichiometry CalculatorMolGod_STOICH_1
🧪 Chemical DataMolGod_CHEMDATA_1
CAS Number
111-96-6
Molecular formula
C6H14O3
Molar mass
134.17 g/mol
IUPAC name (EN)
1-methoxy-2-(2-methoxyethoxy)ethane
SMILES
COCCOCCOC
InChIKey
SBZXBUIDTXKZTM-UHFFFAOYSA-N
📚 Scientific literature (20 articles)MolGod_LITSCI_1
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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
162.1
Temp. topnienia
-64
Density
0.945

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

🔍 External identifiersMolGod_EXTID_1
13 of 16 ID systems81%
DatabaseIdentifierActions
CAS Registry Number111-96-6Open →
PubChem CID8150[1]Open →
InChIKeySBZXBUIDTXKZTM-UHFFFAOYSA-N[1]Open →
InChIInChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3[1]
SMILESCOCCOCCOC[1]
EC Number203-924-4[2]Open →
ChEMBLCHEMBL1234162[3]Open →
DrugBankDB02935Open →
HMDBHMDB0251284Open →
ChemSpider13839575[4]Open →
UNII (FDA)M4BH3X0MVZOpen →
NSC Number (NCI)59726Open →
WikiData QIDQ865952Open →

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

📚 Scientific references (Chicago Author-Date) (4 sources)
  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.

Extended Bibliography (6)

  1. ★★★★☆ CANONICAL_PAPERS 💰 Paywall (probable) ❓ unverified Wang Y; Li A; Pinkerton J et al.. 2022. "Effects of Diglyme on Au Nanocluster Formation: Mechanism, (1)H NMR, and Bonding." The journal of physical chemistry. A. link [accessed: 2026-09-23]
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Mulvey, Robert E., Clegg, William, Barr, Donald, Snaith, Ronald. 1986. "Crystal structure of sodium iodide·(diglyme): An unprecedented bridging role for diglyme." Polyhedron 5 (12): 2109-2111. https://doi.org/10.1016/s0277-5387(00)87147-8. link [accessed: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Diglyme Based Electrolytes for Sodium-Ion Batteries.". https://doi.org/10.1021/acsaem.8b00360.s001. link [accessed: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Investigation of Fundamental Transport Properties and Thermodynamics in Diglyme-Salt Solutions.". https://doi.org/10.1021/jp060113q.s001. link [accessed: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Dynamic Diglyme-Mediated Self-Assembly of Gold Nanoclusters.". https://doi.org/10.1021/acsnano.5b02850.s001. link [accessed: 2026-09-23] CC0 (metadata)
  6. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Impact of Diglyme Cosolvent on Low-Temperature Microstructural Lithium Growth.". https://doi.org/10.1021/acsaem.6c00174.s001. link [accessed: 2026-09-23] CC0 (metadata)
📡 Spectroscopy — CAS 111-96-6MolGod_SPECHUB_MAIN
📊 Spectra (NMR, IR, MS, UV-Vis) (1)

Available spectrum types: IR

IR spectrum (KBr, 4000-400 cm⁻¹)

454 data points · Source: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 Spectrum interpretation guide (for students)
How to read an IR spectrum
  • 3200-3600 cm⁻¹ — O-H stretch (broad peak = hydrogen bonding)
  • 2850-3000 cm⁻¹ — C-H stretch (sp³)
  • 1650-1750 cm⁻¹ — C=O stretch (ketones, aldehydes, esters)
  • 1400-1600 cm⁻¹ — aromatic ring vibrations
  • 1000-1300 cm⁻¹ — C-O stretch (ethers, alcohols)
  • No absorption = no functional group → compare with a reference

Sources: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Scientific references (Chicago Author-Date) (7 sources)
  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. ↗
Structural propertiesMolGod_STRUCT3D_1

Loading structural data...

❓ Frequently asked questions (3)MolGod_FAQ_1
What is 111-96-6?
111-96-6 (CAS 111-96-6) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Helpful?
What is the CAS number of 111-96-6?
The CAS number for 111-96-6 is 111-96-6. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
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How should 111-96-6 be stored?
111-96-6 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
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Download structure filesMolGod_STRDL_1

Molecular structure files from the PubChem database (NIH). Compatible with Avogadro, PyMOL, Jmol, and ChemDraw.

Source: PubChem, National Library of Medicine (NIH). CID: 8150

🔄 Concentration unit converter LIVE MolGod_UNITCONV_1

Enter the Diglyme concentration in any unit — the rest will be calculated automatically.

MW: 134.17 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)
ConversionFormulaAccuracySource
% (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)
📚 Bibliography (8 authoritative sources)
  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
Similar molecular structuresMolGod_SIMSTR_1

Loading similar structures...

🧪 Solution Preparation Wizard WIZARD MolGod_PREP_1
① Select concentration
② Target volume
③ Solvent

Calculations per: IUPAC Gold Book ↗, Merck ↗

Computational chemistryMolGod_COMPCHEM_1

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🛡️ Safety — CAS 111-96-6MolGod_SAFEHUB_MAIN
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Danger
GHS02 — Flammable
GHS02 Flammable
GHS08 — Health hazard
GHS08 Health hazard

🚨 Hazard statements (H)

  • H226 — Flammable liquid and vapour
  • H360FD — May damage fertility. May damage the unborn child
  • EUH019

🛡 Precautionary statements (P)

  • P203 — Obtain, read and follow all safety instructions before use

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 603-139-00-0.

Reference (Chicago): European Chemicals Agency. "bis(2-methoxyethyl) ether, Index No. 603-139-00-0." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 111-96-6 · 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, Regulations
  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

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
  • x̄ = Σxᵢ / n — arithmetic mean
  • s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
  • s = √s² — standard deviation
  • RSD% = (s / x̄) × 100% — relative standard deviation
  • 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

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

🧪 Buffer Recipe Calculator UNIQUE
References: pKa values from Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Choose a buffer from the list of 20 popular systems → enter the target pH → get an exact recipe with the masses to weigh out.

Step 1: Choose a buffer system

📜 Recipe history (last 10)
Pharmacological Status

Prekliniczny

Phase I
Phase II
Phase III
Approved

Preclinical — no human study data.

ChEMBL CHEMBL1234162 ↗

Extended Bibliography (5)

  1. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Mulvey, Robert E., Clegg, William, Barr, Donald, Snaith, Ronald. 1986. "Crystal structure of sodium iodide·(diglyme): An unprecedented bridging role for diglyme." Polyhedron 5 (12): 2109-2111. https://doi.org/10.1016/s0277-5387(00)87147-8. link [accessed: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Diglyme Based Electrolytes for Sodium-Ion Batteries.". https://doi.org/10.1021/acsaem.8b00360.s001. link [accessed: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Investigation of Fundamental Transport Properties and Thermodynamics in Diglyme-Salt Solutions.". https://doi.org/10.1021/jp060113q.s001. link [accessed: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Dynamic Diglyme-Mediated Self-Assembly of Gold Nanoclusters.". https://doi.org/10.1021/acsnano.5b02850.s001. link [accessed: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Impact of Diglyme Cosolvent on Low-Temperature Microstructural Lithium Growth.". https://doi.org/10.1021/acsaem.6c00174.s001. link [accessed: 2026-09-23] CC0 (metadata)
📅 Project Planner — Lab Experiment Manager NEW

Plan your entire laboratory project: add experiments with reagents, replicates, and duration. You'll get a Gantt chart, a shopping list (with links to the store!), a budget with a 10% margin, and a GHS risk matrix.

🧪 Solubility and solvent compatibility MolGod_SOLUB_1
Molecule
Diglyme
Formula
C6H14O3
logP (XLogP3)
-0.40
Mass (g/mol)
134.17
Polarity
Hydrophilic (polar)

⚠️ GC estimate (Hoftyzer–Van Krevelen). No literature HSP data for this CAS — precision ±2 MPa½. Verify experimentally.

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.
📚 Scientific references for solvents (Chicago Author-Date) — click to expand

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
Solubility theory (applied in compatibility prediction):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
  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 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 111-96-6 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Check reaction compatibility MolGod_RXNCOMP_1
0 2 0
Health: 0/4
Flammability: 2/4
Reactivity: 0/4
Per NFPA 704 / calculated from H-codes

Check whether Diglyme is compatible with another reagent

📦 Storage compatibility matrix
Acids Bases Oxidizers Flammable Toxic Gazy
Acids ✓ ✗ ✗ ✗ ⚠ ✗
Bases ✗ ✓ ⚠ ⚠ ⚠ ⚠
Oxidizers ✗ ⚠ ✓ ✗ ⚠ ✗
Flammable ✗ ⚠ ✗ ✓ ⚠ ✗
Toxic ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Can be stored together · ⚠ Caution · ✗ Do NOT store together · OSHA Chemical Segregation ↗

Compatibility data from: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laboratory calculators (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarity (M=n/V)
pH Buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Mass → Moles
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases MolGod_SPECDB_3
📋 Laboratory protocol generator MolGod_PROTOCOL_1

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR) MolGod_LABEL_1
Diethylene Glycol Dimethyl Ether• Diglyme / Bis(2-methoxyethyl) ether• IUPAC: 1-methoxy-2-(2-methoxyethoxy)ethane• CAS: 111-96-6• EC: 203-924-4• Formula: C6H14O3• Mass: 134.17 g/molDANGERGHS HAZARD STATEMENTS:H226: Flammable liquid and vapourH360FD: May damage fertility. May damage the unborn childEUH019: May form explosive peroxides.P203: Obtain, read and follow all safety instructions before useAnhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
🧪 Solution preparation assistant (Smart Prep) MolGod_PREP_2

Enter what you want to prepare — I'll generate an SOP

Examples below — click to insert:
Preset recipes:
📚 Scientific literature overview — CAS 111-96-6MolGod_LITHUB_MAIN
⭐ Key findings (scientific literature) 19 publications
🏆 CAS 111-96-6 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    et al. (2023) · Angewandte Chemie International Edition
    Why it matters: Recent (2023) · open access
    SCORE 9.49 Mechanism Citations: 6 Open Access DOI ↗ PubMed ↗
  2. #2
    et al. (2023) · The Journal of Physical Chemistry B
    Why it matters: Recent (2023) · open access
    SCORE 9.28 Analytics Citations: 5 Open Access DOI ↗ PubMed ↗
  3. #3
    et al. (2022) · ACS Applied Materials & Interfaces
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 8.2 Mechanism Citations: 9 DOI ↗ PubMed ↗
  4. #4
    et al. (2022) · The Journal of Physical Chemistry B
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 7.64 Mechanism Citations: 11 DOI ↗ PubMed ↗
  5. #5
    et al. (2022) · Nanoscale
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 7.43 Mechanism Citations: 2 DOI ↗ PubMed ↗
  6. #6
    et al. (2019) · ACS Applied Materials & Interfaces
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 6.99 Mechanism Citations: 26 DOI ↗ PubMed ↗
  7. #7
    et al. (2021) · ChemSusChem
    Why it matters: Open access
    SCORE 6.98 Mechanism Citations: 2 Open Access DOI ↗ PubMed ↗
  8. #8
    Saša Petriček; Alojz Demšar (2015) · Acta Chimica Slovenica
    Why it matters: Open access
    SCORE 6.25 Mechanism Citations: 1 Open Access DOI ↗ PubMed ↗
  9. #9
    et al. (2026) · ACS Applied Polymer Materials
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  10. #10
    et al. (2010) · Chemical Communications
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 5.37 Mechanism Citations: 17 DOI ↗ PubMed ↗
  11. #11
    et al. (2015) · ACS Applied Materials & Interfaces
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 5.34 Analytics Citations: 18 DOI ↗ PubMed ↗
  12. #12
    Wang Y; Li A; Pinkerton J et al. (2022) · The journal of physical chemistry. A
    Why it matters: Must-cite (canon)
    SCORE 5.2 Analytics MUST-CITE DOI ↗
  13. #13
    Luke D. Reed; Ana Arteaga; Erik J. Menke (2015) · The Journal of Physical Chemistry B
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 4.84 Analytics Citations: 12 DOI ↗ PubMed ↗
  14. #14
    (2025)
    Why it matters: Recent (2025) · review
    SCORE 4.8 Review DOI ↗
  15. #15
    (2025)
    Why it matters: Recent (2025) · review
    SCORE 4.8 Review DOI ↗
  16. #16
    Sebastian Bocklitz; Martin A. Suhm (2017) · ChemPhysChem
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 3.8 Analytics Citations: 1 DOI ↗ PubMed ↗
  17. #17
    et al. (1998) · Drug and Chemical Toxicology
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 3 Pharmacology Citations: 9 DOI ↗ PubMed ↗
  18. #18
    et al. (1999) · Food and Chemical Toxicology
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 2.1 Pharmacology Citations: 4 DOI ↗ PubMed ↗
  19. #19
    Larese Filon F; Fiorito A; Adami G et al. (1999) · International archives of occupational and environmental health
    Why it matters: Must-cite (canon)
    SCORE 0 Pharmacology MUST-CITE DOI ↗
🔬 HPLC — methods & parameters — CAS 111-96-6MolGod_HPLCHUB_MAIN
📈 HPLC gradient — optimizer (LSS) TEMPLATE

Gradient based on PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

  • Column: C18
  • Buffer: phosphate
  • Flow: 1 mL/min
  • logP: -0.4 (PubChem XLogP3)
  • Ramp: 5% → 95% B, 10 min
  • Total analysis time: 23 min
t (min) %A %B flow (mL/min) Comment
0 95 5 1 start (equilibrium)
2 95 5 1 end of initial hold
12 5 95 1 end of LSS ramp
17 5 95 1 column wash
18 95 5 1 return to init
23 95 5 1 re-equilibration
📚 Scientific references (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/111-96-6

📐 Column dimensions — van Deemter calculator N=12,466

Formula: 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).

Dimensions150 × 4.6 mm, 5 µm
Theoretical plates (N)12,466
N at u_opt12,500
HETP (current)12.032 µm
Min. HETP12 µm
Linear velocity (u)0.1003 cm/s
u_opt (van Deemter)0.12 cm/s
Back pressure (ΔP)42.1 bar
Analysis time (dead volume)2.49 min
📚 Scientific references (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/111-96-6

🧪 Mobile phase — compatibility matrix MISCIBLE
Component Name UV cutoff (nm) P' Detectors
Solv. Acetonitrile (MeCN) 190 5.8 UV, MS, ELSD, RID, FLD
Solv. Water 190 10.2 UV, MS, ELSD, RID, FLD
Buffer Phosphate (KH2PO4 / K2HPO4) 195 pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5 MS ✗

Detector: UV — compatible with both solvents.

📚 Scientific references (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=...

Complete HPLC Method Guide Peer-Reviewed

Molecule-specific scenarios, troubleshooting, and literature references

Molecular Predictor

Predicted parameters for this molecule (CAS 111-96-6) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
0.2 min
Range: 0.5 – 0.26
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.

Real Chemist Problem

Dissolving the sample — in what?

Standard in an ampoule. Dissolve it in water? ACN? Methanol? The protocol does not say. The wrong solvent → smeared peaks.

How We Solve This

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

Interactive Calculator

Deep Education

Understanding Mobile Phase Chemistry

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: —

Frequently Asked Questions

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 111-96-6) 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

SPE dla matrix effect w plasma

Drug quantification in human plasma. Matrix suppresses 40%. Which SPE type (MCX / HLB / C18)?

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.

Frequently Asked Questions

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla 1-methoxy-2-(2-methoxyethoxy)ethane (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

Frequently Asked Questions

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=134.17 (CAS 111-96-6) użyj standardowej kolumny C18 100 Å.

Source: Phenomenex Guide

Detection Gotcha

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.

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

Koszt solwentu per batch — optymalizacja

Release testing 50 batches/month × 23 min × 1 mL/min = 29 L ACN/m. Price 115 PLN/L = 3300 PLN/m. How to cut it by 30% without compromise?

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: Richards DE, Begley KB, DeBord DG, Cheev (1993) 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

Frequently Asked Questions

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

Source: USP Online

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

Source: FDA Guidance

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla 1-methoxy-2-(2-methoxyethoxy)ethane (CAS 111-96-6) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

Prep Mistakes That Ruined The Run

Why does my chromatogram look like a cardiogram?

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

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

Forensic Fix — real failure stories Lessons learned

Real chemists' mishaps — what happened, what helped, what to avoid.

Incorrect integration — publication rejected

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

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

💡 Lekcja:

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

Ghost peaks w ostatnim dniu stability

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

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

💡 Lekcja:

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

Bibliography & References

[1]
Richards DE, Begley KB, DeBord DG, Cheever KL, Weigel WW, Tirmenstein MA, Savage RE Jr. (1993). Comparative metabolism of bis(2-methoxyethyl)ether in isolated rat hepatocytes and in the intact rat: effects of ethanol on in vitro metabolism.. Archives of toxicology, 67, 531-7. https://doi.org/10.1007/BF01969265.
DOI PubMed
[2]
Cheever KL, Richards DE, Weigel WW, Begley KB. (1989). The role of enzyme induction on metabolite formation of bis(2-methoxyethyl) ether in the rat.. Toxicology and industrial health, 5, 601-7. https://doi.org/10.1177/074823378900500314.
DOI PubMed
[3]
Cheever KL, Richards DE, Weigel WW, Lal JB, Dinsmore AM, Daniel FB. (1988). Metabolism of bis(2-methoxyethyl) ether in the adult male rat: evaluation of the principal metabolite as a testicular toxicant.. Toxicology and applied pharmacology, 94, 150-9. https://doi.org/10.1016/0041-008x(88)90345-6.
DOI PubMed

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⚠️ 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 111-96-6). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
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Dipropylene glycol mono propyl ether
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📄 Certificates of Analysis (CoA) CAS 111-96-6 none MolGod_COA_2

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📚 Scientific references (Chicago Author-Date) — click to expand

Batch management and laboratory certification standards — 13 independent sources (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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📜 Patents (public metadata) no data MolGod_PATENT_2

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📚 References (Chicago Author-Date) — click to expand
  1. et al.. (2026). "Na Battery Electrolytes Prepared by Dissolution of Commercial Polymers in NaPF6-Diglyme.". https://doi.org/10.1021/acsapm.6c00803
  2. (2025). "Review for "Magnesium Perfluorinated Pinacolatoborate in Diglyme: Understanding Microscopic Structure in Rechargeable Magnesium Batteries"". https://doi.org/10.1039/d5cp02632f/v1/review2
  3. (2025). "Review for "Magnesium Perfluorinated Pinacolatoborate in Diglyme: Understanding Microscopic Structure in Rechargeable Magnesium Batteries"". https://doi.org/10.1039/d5cp02632f/v2/review1
  4. et al.. (2023). "Infrared Spectroscopy of Li+ Solvation in Diglyme: Ab Initio Molecular Dynamics and Experiment.". https://doi.org/10.1021/acs.jpcb.3c05612
  5. et al.. (2023). "Entropic Contributions to Sodium Solvation and Solvent Stabilization upon Electrochemical Sodium Deposition from Diglyme and Propylene Carbonate Electrolytes.". https://doi.org/10.1002/anie.202301253
  6. et al.. (2022). "An ultrastable thiolate/diglyme ligated cluster: Au20(PET)15(DG)2.". https://doi.org/10.1039/d2nr02426h
  7. et al.. (2022). "Effect of Concentration and Temperature on the Structure and Ion Transport in Diglyme-Based Sodium-Ion Electrolyte.". https://doi.org/10.1021/acs.jpcb.2c00557
  8. et al.. (2022). "Fully Active Bimetallic Phosphide Zn0.5Ge0.5P: A Novel High-Performance Anode for Na-Ion Batteries Coupled with Diglyme-Based Electrolyte.". https://doi.org/10.1021/acsami.2c03813
  9. et al.. (2021). "New Diglyme-based Gel Polymer Electrolytes for Na-based Energy Storage Devices.". https://doi.org/10.1002/cssc.202101445
  10. et al.. (2019). "Stable and Unstable Diglyme-Based Electrolytes for Batteries with Sodium or Graphite as Electrode.". https://doi.org/10.1021/acsami.9b06760
  11. (2017). "Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.". https://doi.org/10.1002/cphc.201701169
  12. et al.. (2015). "Synergetic role of Li(+) during Mg electrodeposition/dissolution in borohydride diglyme electrolyte solution: voltammetric stripping behaviors on a Pt microelectrode indicative of Mg-Li alloying and facilitated dissolution.". https://doi.org/10.1021/am507375t
  13. (2015). "A Combined Experimental and Computational Study of an Aluminum Triflate/Diglyme Electrolyte.". https://doi.org/10.1021/acs.jpcb.5b08501
  14. (2015). "Syntheses and crystal structures of vanadium and iron chloride complexes with diglyme.". https://doi.org/10.17344/acsi.2014.1210
  15. et al.. (2010). "Heterometallic Na-Y(Ln) trifluoroacetate diglyme complexes as novel single-source precursors for upconverting NaYF4 nanocrystals co-doped with Yb and Er/Tm ions.". https://doi.org/10.1039/b921474g
  16. et al.. (1999). "Subchronic inhalation toxicity of diglyme.". https://doi.org/10.1016/s0278-6915(98)00096-9
  17. et al.. (1998). "Developmental toxicity of diglyme by inhalation in the rat.". https://doi.org/10.3109/01480549809011642
  18. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  19. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  20. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  21. Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
  22. 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.
  23. 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.
  24. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  25. 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.
  26. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  27. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  28. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  29. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/111-96-6?status=active&limit=10

Extended Bibliography (5)

  1. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Mulvey, Robert E., Clegg, William, Barr, Donald, Snaith, Ronald. 1986. "Crystal structure of sodium iodide·(diglyme): An unprecedented bridging role for diglyme." Polyhedron 5 (12): 2109-2111. https://doi.org/10.1016/s0277-5387(00)87147-8. link [accessed: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Diglyme Based Electrolytes for Sodium-Ion Batteries.". https://doi.org/10.1021/acsaem.8b00360.s001. link [accessed: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Investigation of Fundamental Transport Properties and Thermodynamics in Diglyme-Salt Solutions.". https://doi.org/10.1021/jp060113q.s001. link [accessed: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Dynamic Diglyme-Mediated Self-Assembly of Gold Nanoclusters.". https://doi.org/10.1021/acsnano.5b02850.s001. link [accessed: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Impact of Diglyme Cosolvent on Low-Temperature Microstructural Lithium Growth.". https://doi.org/10.1021/acsaem.6c00174.s001. link [accessed: 2026-09-23] CC0 (metadata)
Data from PubChemSource: PubChem (NIH) · ChEMBL
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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 121 items

All scientific sources cited in the accordions above for CAS 111-96-6. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. NIST. n.d. NIST Chemistry WebBook: CAS 111-96-6. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=111-96-6.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 111-96-6. 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 111-96-6. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=111-96-6.

📐 Standards / Guidelines

  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.

📖 Books

  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.

📄 Scientific articles (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.
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  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. ECHA — Zalacznik VI do CLP (klasyfikacja zharmonizowana, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
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