2-Hydroxyisocaproic acid
Properties
- Molecular formula
- C6H12O3
- Molar mass
- 132.16 g/mol
- Exact mass
- 132.0786 Da
- Melting point
- 76–77 °C
- Boiling point
- 249 °C
- logP
- 0.48Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 1,376 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
498-36-2SMILES
CC(C)CC(O)C(=O)OInChIKey
LVRFTAZAXQPQHI-UHFFFAOYSA-NInChI
InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
20 names · show all
- Pentanoic acid, 2-hydroxy-4-methyl-
- Valeric acid, 2-hydroxy-4-methyl-
- Leucic acid
- 2-Hydroxy-4-methylpentanoic acid
- α-Hydroxyisocaproic acid
- α-Hydroxy-iso-caproic acid
- α-Hydroxyisocaproate
- 2-Hydroxy-4-methylvaleric acid
- 2-Hydroxyisohexanoic acid
- (±)-α-Hydroxyisocaproic acid
- DL-α-Hydroxyisocaproic acid
- (±)-Leucinic acid
- (±)-2-Hydroxyisohexanoic acid
- DL-2-Hydroxy-4-methylpentanoic acid
- DL-2-Hydroxyisocaproic acid
- (±)-2-Hydroxyisocaproic acid
- DL-Leucic acid
- (±)-Leucic acid
- Leucinic acid
- (+-)-2-Hydroxyisocaproic acid
Work with 2-Hydroxyisocaproic 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
(S)-2-Hydroxybutyric acid3347-90-856 % similar
(S)-2-Chloro-4-methyl-N-valeric acid28659-81-655 % similar
D-Leucine328-38-155 % similar
Leucine328-39-255 % similar
Leucine61-90-555 % similar
Isoserine565-71-950 % similar
L-Isoserine632-13-350 % similar
2-Hydroxy-4-(methylthio)butyric acid583-91-548 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.