chempirical

Diethylene glycol

C4H10O3CAS 111-46-6106.12 g/mol

Open in Covalent MOL file
HOOOH
AlcoholEther

Properties

Molecular formula
C4H10O3
Molar mass
106.12 g/mol
Exact mass
106.0630 Da
Density
1.18 g/mL (at 20 °C)
Melting point
−6.5 °C
Boiling point
244–245 °C
Flash point
124 °C (closed cup)
Water solubility
miscible
logP
-1.01Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 603-140-00-6), via PubChem.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
111-46-6
SMILES
OCCOCCO
InChIKey
MTHSVFCYNBDYFN-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

27 names · show all
  • Ethanol, 2,2′-oxybis-
  • 2,2′-Oxybis[ethanol]
  • TL4N
  • Brecolane NDG
  • Deactivator E
  • DEG
  • Dicol
  • Diglycol
  • β,β′-Dihydroxydiethyl ether
  • Dissolvant APV
  • Ethylene diglycol
  • 3-Oxapentane-1,5-diol
  • 2,2′-Oxydiethanol
  • Bis(β-hydroxyethyl) ether
  • Digol
  • Bis(2-hydroxyethyl) ether
  • Digenos
  • 2,2′-Oxyethanol
  • 2-(2-Hydroxyethoxy)ethanol
  • 3-Oxapentamethylene-1,5-diol
  • 1,5-Dihydroxy-3-oxapentane
  • 2-Hydroxyethoxyethanol
  • NSC 36391
  • DST Powder 1.6
  • 2,2′-Oxybis(ethan-1-ol)
  • 2-(2-Hydroxyethoxy)ethan-1-ol
  • KC 22

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 111-46-6. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Diethylene glycol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Triethylene glycol112-27-692 % similar Tetraethylene glycol112-60-792 % similar Hexaethylene glycol2615-15-892 % similar 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diol3386-18-392 % similar Pentaethylene glycol4792-15-892 % similar Octaethylene glycol5117-19-192 % similar Decaethylene glycol5579-66-892 % similar Heptaethylene glycol5617-32-392 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Trimethyl orthoformate149-73-5 1,2,4-Butanetriol3068-00-6 2,2-Dimethoxyethanol30934-97-5 3-Methoxy-1,2-propanediol36887-04-4 (-)-1,2,4-Butanetriol42890-76-6 2-(Hydroxymethyl)-1,3-propanediol4704-94-3 3-Methoxy-1,2-propanediol623-39-2 (2R)-1,2,4-Butanetriol70005-88-8

Elsewhere

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