122-68-9

Name 3-PHENYLPROPYL CINNAMATE
CAS 122-68-9
EINECS(EC#) 204-565-6
Molecular Formula C18H18O2
MDL Number MFCD00048269
Molecular Weight 266.33
MOL File 122-68-9.mol

Chemical Properties

Boiling point  420℃
density  1.091
FEMA  2894 | 3-PHENYLPROPYL CINNAMATE
refractive index  1.5200 (estimate)
Fp  261℃
solubility  Insoluble in water, soluble in alcohol and oils.
form  Colorless, slightly viscous liquid.
Odor at 100.00 %. sweet balsam spicy apricot
Odor Type balsamic
JECFA Number 672
Cosmetics Ingredients Functions PERFUMING
InChI InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2
InChIKey LYRAHIUDQRJGGZ-UHFFFAOYSA-N
SMILES C(OCCCC1=CC=CC=C1)(=O)C=CC1=CC=CC=C1
LogP 4.64
CAS DataBase Reference 122-68-9
EPA Substance Registry System 2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester (122-68-9)

Safety Data

WGK Germany  WGK 3
TSCA  TSCA listed
Storage Class 11 - Combustible Solids
Toxicity
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Keating, 1972).

Hazard Information

Supplier