2-Pentanecarboxylic acid

CAS	97-61-0
Structure
Synonyms	Kyselina 2-methylvalerova
IUPAC Name	2-Methylvaleric acid
Molecular Weight	116.16
Canonical SMILES	CCCC(C)C(=O)O
InChI	InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChI Key	OVBFMEVBMNZIBR-UHFFFAOYSA-N
Boiling Point	196-197 °C
Melting Point	-85 °C
Flash Point	196 °F
Purity	98%+
Density	0.931 g/mL at 25 °C(lit.)
Solubility	Soluble in water
Exact Mass	116.083729621
Monoisotopic Mass	116.083729621
Physical State	Liquid
Refractive Index	n20/D 1.414(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų