Alpha-ketoisocaproic acid
Properties
- Molecular formula
- C6H10O3
- Molar mass
- 130.14 g/mol
- Exact mass
- 130.0630 Da
- Density
- 1.0312 g/mL (at 20 °C)
- Melting point
- 6–9 °C
- Boiling point
- 105–107 °C (at 22 Torr)
- logP
- 0.69Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
816-66-0SMILES
CC(C)CC(=O)C(=O)OInChIKey
BKAJNAXTPSGJCU-UHFFFAOYSA-NInChI
InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- Pentanoic acid, 4-methyl-2-oxo-
- Valeric acid, 4-methyl-2-oxo-
- 4-Methyl-2-oxopentanoic acid
- α-Ketoisocaproic acid
- α-Oxoisocaproic acid
- 2-Oxoisocaproic acid
- 2-Oxoleucine
- 2-Oxo-4-methylvaleric acid
- 2-Ketoisocaproic acid
- 2-Oxo-4-methylpentanoic acid
- 4-Methyl-2-oxovaleric acid
- 4-Methyl-2-oxopentanoate
- Ketoleucine
- α-Ketoisocapronic acid
- 2-Keto-4-Methylvaleric acid
- Isobutylglyoxylic acid
- Ketoisocaproic acid
Work with Alpha-ketoisocaproic acid
Similar compounds
3-Methylbutanoic acid503-74-250 % similar
α-Ketobutyric acid600-18-050 % similar
Alpha-ketovaleric acid1821-02-946 % similar
Sodium α-ketoisocaproate4502-00-545 % similar
Calcium α-ketoisocaproate51828-95-645 % similar
Bromopyruvic acid1113-59-344 % similar
Isobutyl ketone108-83-844 % similar
2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethyl-1,3-cyclohexanedione172611-72-243 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds