Ethyl 2-methylbutanoate
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Density
- 0.8687 g/mL (at 20 °C)
- Boiling point
- 133.1 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor> 99.9% of notifiers
Aggregated from 1,873 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
7452-79-1SMILES
CCOC(=O)C(C)CCInChIKey
HCRBXQFHJMCTLF-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Butanoic acid, 2-methyl-, ethyl ester
- Butyric acid, 2-methyl-, ethyl ester
- Ethyl 2-methylbutyrate
- Ethyl α-methylbutyrate
- 2-Methylbutyric acid ethyl ester
- NSC 1103
- 2-Methylbutanoic acid ethyl ester
- (±)-Ethyl 2-methylbutanoate
Work with Ethyl 2-methylbutanoate
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
Manzanate39255-32-866 % similar
2-Methylbutyl 2-methylbutanoate2445-78-563 % similar
1,3-Diethyl 2-ethylpropanedioate133-13-163 % similar
Butyl 2-methyl butyrate15706-73-761 % similar
(±)-Methyl 2-methylbutanoate868-57-561 % similar
Diethyl (1-methylpropyl)malonate83-27-260 % similar
Ethyl 2-methyl-4,4,4-trifluorobutyrate136564-76-659 % similar
Ethyl 2-methyl-4-pentenoate53399-81-859 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.