Specification
Synonyms
3-Phenylallyl acetate
IUPAC Name
[(E)-3-Phenylprop-2-enyl] acetate
Canonical SMILES
CC(=O)OCC=CC1=CC=CC=C1
InChI
InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
InChI Key
WJSDHUCWMSHDCR-VMPITWQZSA-N
Density
1.057 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; soluble in oils
Appearance
colorless to yellow clear liquid
Hazard Statements
Xi: Irritant;
Isomeric SMILES
CC(=O)OC/C=C/C1=CC=CC=C1
Monoisotopic Mass
176.083729621
Refractive Index
n20/D 1.541(lit.)
Safety Description
S24/25
Stability
Stable under normal temperatures and pressures.
Storage Conditions
2-8 °C
Topological Polar Surface Area
26.3 Ų