Propyl isovalerate

Catalog	ACM557006
CAS	557-00-6
Structure
Synonyms	Butanoic acid, 3-methyl-, propyl ester
IUPAC Name	Propyl 3-methylbutanoate
Molecular Weight	144.21
Molecular Formula	C8H16O2
Canonical SMILES	CCCOC(=O)CC(C)C
InChI	InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChI Key	LSJMDWFAADPNAX-UHFFFAOYSA-N
Boiling Point	155.8 °C
Melting Point	-63.35 °C
Flash Point	44 °C
Purity	98%+
Density	0.862 g/mL at 20 °C(lit.)
Solubility	Soluble in organic solvents, alcohol; insoluble in water
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Odor	Fruity odor
Physical State	Liquid
Refractive Index	n20/D 1.403(lit.)
Topological Polar Surface Area	26.3 Ų