Cis-3-Hexenyl Hexanoate

Catalog	ACM31501118-2
CAS	31501-11-8
Structure
Synonyms	cis-3-Hexenyl caproate
IUPAC Name	[(Z)-Hex-3-enyl] hexanoate
Molecular Weight	198.3
Molecular Formula	C12H22O2
Canonical SMILES	CCCCCC(=O)OCCC=CCC
InChI	InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-
InChI Key	RGACQXBDYBCJCY-ALCCZGGFSA-N
Boiling Point	115 °C
Melting Point	17.88 °C
Flash Point	220 °F
Purity	99%
Density	0.88 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol, propylene glycol, most fixed oils; insoluble in water
Exact Mass	198.16197994
Isomeric SMILES	CCCCCC(=O)OCC/C=C\CC
Monoisotopic Mass	198.16197994
Physical State	Liquid
Refractive Index	n20/D 1.473(lit.)
Storage Conditions	Inert atmosphere,Room Temperature
Topological Polar Surface Area	26.3 Ų