Cis-3-Hexenyl benzoate

Catalog	ACM25152856
CAS	25152-85-6
Structure
Synonyms	(3Z)-Hex-3-en-1-yl benzoate
IUPAC Name	[(Z)-Hex-3-enyl] benzoate
Molecular Weight	204.26
Molecular Formula	C13H16O2
Canonical SMILES	CCC=CCCOC(=O)C1=CC=CC=C1
InChI	InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-
InChI Key	BCOXBEHFBZOJJZ-ARJAWSKDSA-N
Boiling Point	105 °C
Flash Point	>230 °F
Purity	98%+
Density	0.999 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, fats, oils
Appearance	Colorless to pale yellow liquid
Exact Mass	204.115029749
Isomeric SMILES	CC/C=C\CCOC(=O)C1=CC=CC=C1
Monoisotopic Mass	204.115029749
Odor	Green, herbaceous, woody odor
Physical State	Liquid
Refractive Index	n20/D 1.508(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų