Butyl butyrate
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- Density
- 0.8711 g/mL (at 20 °C)
- Melting point
- −91.5 °C
- Boiling point
- 166 °C
- Flash point
- 53.3 °C
- logP
- 2.13Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H226 Flammable liquid and vaporFlammable liquids
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
109-21-7SMILES
CCCCOC(=O)CCCInChIKey
XUPYJHCZDLZNFP-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Butanoic acid, butyl ester
- Butyric acid, butyl ester
- Butyl butanoate
- n-Butyl butyrate
- n-Butyl n-butyrate
- 1-Butyl butyrate
- Butyl butylate
- n-Butyl butanoate
- NSC 8458
- Butyric acid n-butyl ester
Reactions
Work with Butyl 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
Pentyl butyrate540-18-188 % similar
Dibutyl succinate141-03-787 % similar
Octyl butyrate110-39-484 % similar
Hexyl butyrate2639-63-684 % similar
Heptyl butyrate5870-93-984 % similar
Dibutyl adipate105-99-783 % similar
Butyl valerate591-68-483 % similar
Dibutyl sebacate109-43-380 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds