Butanoic acid, 2-methyl-, hexyl ester

CAS	10032-15-2
Structure
Synonyms	2-Methylbutanoic acid, n-hexyl ester
IUPAC Name	Hexyl 2-methylbutanoate
Molecular Weight	186.29
Canonical SMILES	CCCCCCOC(=O)C(C)CC
InChI	InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
InChI Key	YUECNVSODFDKOQ-UHFFFAOYSA-N
Boiling Point	217-219 °C
Melting Point	-63.1 °C
Flash Point	183 °F
Purity	95%+
Density	0.857 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol, most fixed oils; insoluble in water
Exact Mass	186.16197994
Monoisotopic Mass	186.16197994
Odor	Strong, fresh-green, fruity odor
Physical State	Liquid
Topological Polar Surface Area	26.3 Ų