Butyl 2-methyl butyrate
Properties
- Molecular formula
- C9H18O2
- Molar mass
- 158.24 g/mol
- Exact mass
- 158.1307 Da
- Density
- 0.856–0.866 g/mL
- Boiling point
- 179 °C
- logP
- 2.38Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H226 Flammable liquid and vapor94.4% of notifiers
Aggregated from 1,450 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
15706-73-7SMILES
CCCCOC(=O)C(C)CCInChIKey
OTKQNSSMCDLVQV-UHFFFAOYSA-NInChI
InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- (±)-Butyl 2-methylbutanoate
- Butanoic acid, 2-methyl-, butyl ester
- Butyric acid, 2-methyl-, butyl ester
- Butyl 2-methylbutanoate
- Butyl 2-methylbutyrate
- n-Butyl 2-methylbutyrate
Work with Butyl 2-methyl 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
Hexyl 2-methylbutanoate10032-15-287 % similar
Butyl isobutyrate97-87-065 % similar
Butyl (2S)-2-hydroxybutanoate132513-51-062 % similar
Ethyl 2-methylbutanoate7452-79-161 % similar
2-Methylbutyl 2-methylbutanoate2445-78-561 % similar
n-Butyl lactate138-22-759 % similar
Butyl (2S)-2-hydroxypropanoate34451-19-959 % similar
Dibutyl tartrate87-92-358 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds