cis-3-Hexenyl pentanoate

CAS	35852-46-1
Structure
Synonyms	(Z)-3-Hexenyl valerate
IUPAC Name	[(Z)-Hex-3-enyl] pentanoate
Molecular Weight	184.27
Canonical SMILES	CCCCC(=O)OCCC=CCC
InChI	InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
InChI Key	XPFTVTFOOTVHIA-ALCCZGGFSA-N
Boiling Point	237 °C
Melting Point	-58.7 °C
Flash Point	83 °C
Purity	98%+
Density	0.88 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in fats
Exact Mass	184.146329876
Isomeric SMILES	CCCCC(=O)OCC/C=C\CC
Monoisotopic Mass	184.146329876
Odor	Ripe apple or pear-like aroma
Physical State	Liquid
Refractive Index	n20/D 1.435(lit.)
Topological Polar Surface Area	26.3 Ų