chempirical

Glycol diacetate

C6H10O4CAS 111-55-7146.14 g/mol

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Ester

Properties

Molecular formula
C6H10O4
Molar mass
146.14 g/mol
Exact mass
146.0579 Da
Density
1.1 g/mL
Melting point
−31 °C
Boiling point
190–191 °C
Flash point
88.3 °C (closed cup)
Water solubility
164 g/L (20 °C)
logP
0.11Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 414 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
111-55-7
SMILES
CC(=O)OCCOC(C)=O
InChIKey
JTXMVXSTHSMVQF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 1,2-Ethanediol, 1,2-diacetate
  • Ethylene glycol, diacetate
  • 1,2-Ethanediol, diacetate
  • Ethylene acetate
  • Ethylene diacetate
  • 1,2-Diacetoxyethane
  • Ethanediol diacetate
  • Ethylene diethanoate
  • Aptex Donor H-plus
  • NSC 8853
  • Novaset NH
  • Novaset NH medium hardener
  • 1,2-Ethanediyl diacetate
  • Ethylene glycol diacetate
  • EGDA
  • S 2000
  • 2-Acetyloxyethyl acetate
  • 2-(Acetyloxy)ethyl acetate
  • Flodur 3

Work with Glycol diacetate

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

1,8-Diacetoxy-3,6-dioxaoctane111-21-783 % similar Oxydiethylene acetate628-68-283 % similar 1,3-Diacetoxypropane628-66-078 % similar Butylene glycol diacetate628-67-178 % similar Ethylene glycol monomethyl ether acetate110-49-675 % similar Hexylene glycol diacetate6222-17-974 % similar 1,5-Diacetoxypentane6963-44-674 % similar 2-((Acetyloxy)methoxy)ethyl acetate59278-00-171 % similar

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

Same formula

Dimethyl succinate106-65-0 Monoethyl succinate1070-34-4 Adipic acid124-04-9 Glucal13265-84-4 Monomethyl glutarate1501-27-5 2-Methylglutaric acid18069-17-5 D-Galactal21193-75-9 Methyl 4-methoxyacetoacetate41051-15-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook