chempirical

Butylene glycol diacetate

C8H14O4CAS 628-67-1174.20 g/mol

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Ester

Properties

Molecular formula
C8H14O4
Molar mass
174.20 g/mol
Exact mass
174.0892 Da
Melting point
12 °C
Boiling point
229 °C
logP
0.89Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
628-67-1
SMILES
CC(=O)OCCCCOC(C)=O
InChIKey
XUKSWKGOQKREON-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • 1,4-Butanediol, 1,4-diacetate
  • 1,4-Butanediol, diacetate
  • Tetramethylene diacetate
  • Tetramethylene acetate
  • 1,4-Diacetoxybutane
  • 1,4-Butylene glycol diacetate
  • NSC 67924
  • CELTOL 1,4-BDDA

Work with Butylene 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

Hexylene glycol diacetate6222-17-994 % similar 1,5-Diacetoxypentane6963-44-694 % similar 1,3-Diacetoxypropane628-66-089 % similar Glycol diacetate111-55-778 % similar Amyl acetate628-63-777 % similar Heptyl acetate112-06-174 % similar Octyl acetate112-14-174 % similar Decyl acetate112-17-474 % similar

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

Same formula

2,3-Diacetoxybutane1114-92-7 1,3-Butylene glycol diacetate1117-31-3 (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-3 Diethyl succinate123-25-1 Mono-tert-butyl succinate15026-17-2 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-5 Glycol diglycidyl ether2224-15-9 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-8

Elsewhere

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