2-Methylbutanoic acid
Properties
- Molecular formula
- C5H10O2
- Molar mass
- 102.13 g/mol
- Exact mass
- 102.0681 Da
- Density
- 0.9332 g/mL (at 20 °C)
- Boiling point
- 176.5 °C
- logP
- 1.12Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed99.8% of notifiers
- H312 Harmful in contact with skin99.8% of notifiers
- H314 Causes severe skin burns and eye damage> 99.9% of notifiers
- H318 Causes serious eye damage83.6% of notifiers
Aggregated from 1,864 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
116-53-0SMILES
CCC(C)C(=O)OInChIKey
WLAMNBDJUVNPJU-UHFFFAOYSA-NInChI
InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
20 names · show all
- Butanoic acid, 2-methyl-
- Butyric acid, 2-methyl-
- Butyric acid, α-methyl-
- Active valeric acid
- Ethylmethylacetic acid
- 2-Methylbutyric acid
- α-Methylbutyric acid
- Methylethylacetic acid
- α-Methyl-n-butyric acid
- 2-Methyl-n-butyric acid
- DL-2-Methylbutyric acid
- (±)-2-Methylbutyric acid
- (±)-Methylethylacetic acid
- DL-2-Methylbutanoic acid
- DL-α-Methylbutyric acid
- (±)-2-Methylbutanoic acid
- (±)-α-Methylbutyric acid
- 2-Ethylpropanoic acid
- NSC 7304
- Hydroangelic acid
Reactions
Work with 2-Methylbutanoic acid
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2-Methylvaleric acid97-61-062 % similar
Ethylmalonic acid601-75-258 % similar
2-Ethylbutanoic acid88-09-558 % similar
Beta-aminoisobutyric acid10569-72-958 % similar
3-Aminoisobutyric acid144-90-158 % similar
3-Mercaptoisobutyric acid26473-47-258 % similar
2-Methylhexanoic acid4536-23-657 % similar
(S)-(-)-Methylsuccinic acid2174-58-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.