α-Ketobutyric acid
Properties
- Molecular formula
- C4H6O3
- Molar mass
- 102.09 g/mol
- Exact mass
- 102.0317 Da
- Melting point
- 33 °C
- Boiling point
- 74–78 °C (at 25 Torr)
- logP
- 0.05Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation99.8% of notifiers
- H319 Causes serious eye irritation99.8% of notifiers
- H335 May cause respiratory irritation99.7% of notifiers
Aggregated from 1,442 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
600-18-0SMILES
CCC(=O)C(=O)OInChIKey
TYEYBOSBBBHJIV-UHFFFAOYSA-NInChI
InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- Butanoic acid, 2-oxo-
- Butyric acid, 2-oxo-
- 2-Oxobutanoic acid
- Propionylformic acid
- α-Oxobutyric acid
- α-Oxo-n-butyric acid
- 2-Oxobutyric acid
- 2-Ketobutyric acid
- α-Keto-n-Butyric acid
- 3-Methylpyruvic acid
- 2-Oxo-n-butyric acid
- 2-Ketobutanoic acid
- NSC 60533
- α-Oxobutanoic acid
Work with α-Ketobutyric acid
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
Alpha-ketovaleric acid1821-02-958 % similar
3,4-Hexanedione4437-51-858 % similar
Bromopyruvic acid1113-59-350 % similar
Alpha-ketoisocaproic acid816-66-050 % similar
Oxaloacetic acid328-42-748 % similar
α-Ketoglutaric acid328-50-746 % similar
Acetylpropionyl600-14-646 % similar
Propionic acid79-09-443 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.