Ethyl isovalerate
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Density
- 0.8854 g/mL (at 0 °C)
- Melting point
- −99.3 °C
- Boiling point
- 135 °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 vapor99.9% of notifiers
- H315 Causes skin irritation97.2% of notifiers
Aggregated from 1,810 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
108-64-5SMILES
CCOC(=O)CC(C)CInChIKey
PPXUHEORWJQRHJ-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Butanoic acid, 3-methyl-, ethyl ester
- Isovaleric acid, ethyl ester
- Ethyl 3-methylbutyrate
- Ethyl 3-methylbutanoate
- Ethyl isopentanoate
- 3-Methylbutyric acid ethyl ester
- Isopentanoic acid ethyl ester
- 3-Methylbutanoic acid ethyl ester
- NSC 8869
Work with Ethyl isovalerate
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
Isobutyl isovalerate589-59-365 % similar
Ethyl (3R)-3-hydroxybutanoate24915-95-562 % similar
Ethyl 3-hydroxybutyrate35608-64-162 % similar
Ethyl 3-hydroxybutyrate5405-41-462 % similar
(+)-Ethyl 3-hydroxybutyrate56816-01-462 % similar
Ethyl 3-methylpentanoate5870-68-862 % similar
Ethyl 3,3-diethoxypropionate10601-80-661 % similar
Diethyl 3-hydroxyglutarate32328-03-361 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.