Propyl butyrate
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Density
- 0.866–0.875 g/mL
- Melting point
- −95.2 °C
- Boiling point
- 143 °C
- logP
- 1.74Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 1,502 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
105-66-8SMILES
CCCOC(=O)CCCInChIKey
HUAZGNHGCJGYNP-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Butanoic acid, propyl ester
- Butyric acid, propyl ester
- Propyl n-butyrate
- Propyl butanoate
- n-Propanol butyrate
- n-Propyl butanoate
Work with Propyl butyrate
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
Dipropyl succinate925-15-586 % similar
Dipropyl adipate106-19-478 % similar
Butyl butyrate109-21-775 % similar
Dipropyl sebacate15419-91-775 % similar
Pentyl butyrate540-18-172 % similar
Propyl hexanoate626-77-772 % similar
Octyl butyrate110-39-469 % similar
Hexyl butyrate2639-63-669 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.