cis-3-Hexenyl isovalerate

Catalog	ACM35154451
CAS	35154-45-1
Structure
Synonyms	Isovaleric acid cis-3-hexenyl ester
IUPAC Name	[(Z)-Hex-3-enyl] 3-methylbutanoate
Molecular Weight	184.27
Molecular Formula	C11H20O2
Canonical SMILES	CCC=CCCOC(=O)CC(C)C
InChI	InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
InChI Key	AIQLNKITFBJPFO-WAYWQWQTSA-N
Boiling Point	98 °C
Melting Point	13.63 °C
Flash Point	140 °F
Purity	98%+
Density	0.874 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohool, most fixed oils; insolouble in water
Exact Mass	184.146329876
Isomeric SMILES	CC/C=C\CCOC(=O)CC(C)C
Monoisotopic Mass	184.146329876
Odor	Swet, apple-like odor
Physical State	Liquid
Refractive Index	n20/D 1.432(lit.)
Topological Polar Surface Area	26.3 Ų