Butylene glycol diacetate
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
Hazards
Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
628-67-1SMILES
CC(=O)OCCCCOC(C)=OInChIKey
XUKSWKGOQKREON-UHFFFAOYSA-NInChI
InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3Weigh 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.