(3Z)-3-Hexenyl phenylacetate

CAS	42436-07-7
Structure
Synonyms	3-Hexenyl alpha-toluate
IUPAC Name	[(Z)-Hex-3-enyl] 2-phenylacetate
Molecular Weight	218.29
Canonical SMILES	CCC=CCCOC(=O)CC1=CC=CC=C1
InChI	InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
InChI Key	FJKFIIYSBXHBCT-ARJAWSKDSA-N
Boiling Point	292-297 °C
Flash Point	110 °C
Purity	95%+
Density	0.992 g/mL at 25 °C(lit.)
Exact Mass	218.130679813
Isomeric SMILES	CC/C=C\CCOC(=O)CC1=CC=CC=C1
Monoisotopic Mass	218.130679813
Refractive Index	n20/D 1.502(lit.)
Topological Polar Surface Area	26.3 Ų