Ethyl isobutyrate
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.8476 g/mL (at 40 °C)
- Melting point
- −88.2 °C
- Boiling point
- 110.1 °C
- logP
- 1.21Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
97-62-1SMILES
CCOC(=O)C(C)CInChIKey
WDAXFOBOLVPGLV-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Propanoic acid, 2-methyl-, ethyl ester
- Isobutyric acid, ethyl ester
- Ethyl 2-methylpropanoate
- Ethyl 2-methylpropionate
- Ethyl isobutanoate
- Ethyl 2,2-dimethylacetate
- 2-Methylpropanoic acid ethyl ester
- 2-Methylpropionic acid ethyl ester
- NSC 97194
- Ethyl 2-methyl-1-propanoate
Work with Ethyl isobutyrate
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
Diethyl isobutylmalonate10203-58-465 % similar
1,3-Diethyl 2-ethylpropanedioate133-13-164 % similar
Ethyl glycidate4660-80-464 % similar
Propyl isobutyrate644-49-562 % similar
1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-462 % similar
Diethyl isoamylmalonate5398-08-361 % similar
1,3-Diethyl 2-(1-methylpropyl)propanedioate83-27-261 % similar
Ethyl cyclopropanecarboxylate4606-07-960 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds