alpha-Ketoisocaproic acid

α-Ketoisocaproic acid
IUPAC name 4-Methyl-2-oxopentanoic acid
Systematic name 4-Methyl-2-oxopentanoic acid
Other names 4-Methyl-2-oxovaleric acid
Identifiers
CAS number	816-66-0 Y
PubChem	70
ChemSpider	69 Y
EC number	212-435-5
UN number	3265
DrugBank	DB03229
KEGG	C00233 Y
MeSH	Alpha-ketoisocaproic+acid
ChEBI	CHEBI:48430
ChEMBL	CHEMBL445647 Y
Beilstein Reference	1701823
3DMet	B00066
Jmol-3D images	Image 1 Image 2
SMILES CC(C)CC(=O)C(O)=O O=C(C(=O)O)CC(C)C
InChI InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) Y Key: BKAJNAXTPSGJCU-UHFFFAOYSA-N Y InChI=1/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) Key: BKAJNAXTPSGJCU-UHFFFAOYAG
Properties
Molecular formula	C6H10O3
Molar mass	130.14 g mol−1
Density	1.055 g cm-3 (at 20 °C)
Melting point	8-10 °C, 281-283 K, 46-50 °F
Boiling point	85 °C, 358 K, 185 °F (at 13 mmHg)
log P	0.133
Acidity (pKa)	2.651
Basicity (pKb)	11.346
Hazards
EU classification	C
R-phrases	R34
S-phrases	S26, S36/37/39, S45
Y (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

α-Ketoisocaproic acid is an intermediate in the metabolism of leucine.