chempirical

Propylene glycol diacetate

C7H12O4CAS 623-84-7160.17 g/mol

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Ester

Properties

Molecular formula
C7H12O4
Molar mass
160.17 g/mol
Exact mass
160.0736 Da
Density
1.059 g/mL (at 20 °C)
Boiling point
190 °C (at 762 Torr)
logP
0.50Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
623-84-7
SMILES
CC(=O)OCC(C)OC(C)=O
InChIKey
MLHOXUWWKVQEJB-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3

Weigh it out

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

Names and synonyms

16 names · show all
  • 1,2-Propanediol, 1,2-diacetate
  • 1,2-Propanediol, diacetate
  • α-Propylene glycol diacetate
  • 1,2-Propylene diacetate
  • Methylethylene acetate
  • Methylethylene diacetate
  • 1,2-Diacetoxypropane
  • 1,2-Propylene glycol diacetate
  • Propylene acetate
  • Propylene diacetate
  • Dowanol PGDA
  • (±)-1,2-Diacetoxypropane
  • NSC 75843
  • PGDA (solvent)
  • PDGA
  • 2-Acetyloxypropyl acetate

Work with Propylene 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propylene glycol methyl ether acetate108-65-668 % similar 1,3-Butylene glycol diacetate1117-31-366 % similar Triacetin102-76-163 % similar sec-Butyl acetate105-46-461 % similar Isobutyl acetate110-19-059 % similar 4-Methyl-2-pentyl acetate108-84-959 % similar Propylene carbonate108-32-754 % similar (4R)-4-Methyl-1,3-dioxolan-2-one16606-55-654 % similar

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

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 Dimethyl glutarate1119-40-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8 (±)-3-Methyladipic acid3058-01-3

Elsewhere

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