cis-3-Hexenyl trans-2-hexenoate

CAS	53398-87-1
Structure
Synonyms	(3Z,2E)-3-Hexenyl 2-hexenoate
IUPAC Name	[(Z)-Hex-3-enyl] (E)-hex-2-enoate
Molecular Weight	196.29
Canonical SMILES	CCCC=CC(=O)OCCC=CCC
InChI	InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+
InChI Key	WAZKUHYKUCORDK-SUTBWYPISA-N
Boiling Point	264 °C
Flash Point	118 °C
Purity	98%+
Density	0.903 g/mL at 25 °C
Solubility	Insoluble in water; soluble in organic solvents
Exact Mass	196.146329876
Isomeric SMILES	CCC/C=C/C(=O)OCC/C=C\CC
Monoisotopic Mass	196.146329876
Odor	Fruity aroma
Physical State	Liquid
Topological Polar Surface Area	26.3 Ų