-
Name
3-PHENYLPROPYL CINNAMATE
- EINECS 204-565-6
- CAS No. 122-68-9
- Article Data13
- CAS DataBase
- Density 1.091 g/cm3
- Solubility insoluble in water; soluble in oils
- Melting Point
- Formula C18H18 O2
- Boiling Point 420.2 °C at 760 mmHg
- Molecular Weight 266.34
- Flash Point 260.6 °C
- Transport Information
- Appearance colorless clear liquid
- Safety Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Cinnamicacid, 3-phenylpropyl ester (7CI,8CI); Hydrocinnamyl cinnamate; Phenylpropylcinnamate
- PSA 26.30000
- LogP 4.04670
3-Phenylpropyl cinnamate Chemical Properties
Empirical Formula of 3-Phenylpropyl cinnamate (CAS NO.122-68-9): C18H18O2
Molecular Weight: 266.3343 g/mol
EINECS: 204-565-6
Index of Refraction: 1.589
Density: 1.091 g/cm3
Flash Point: 260.6 °C
Enthalpy of Vaporization: 67.4 kJ/mol
Boiling Point: 420.2 °C at 760 mmHg
Vapour Pressure: 2.87E-07 mmHg at 25 °C
Structure of 3-Phenylpropyl cinnamate (CAS NO.122-68-9):
IUPAC Name: 3-Phenylpropyl (Z)-3-phenylprop-2-enoate
Canonical SMILES: C1=CC=C(C=C1)CCCOC(=O)C=CC2=CC=CC=C2
Isomeric SMILES: C1=CC=C(C=C1)CCCOC(=O)/C=C\C2=CC=CC=C2
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/b14-13-
InChIKey: LYRAHIUDQRJGGZ-YPKPFQOOSA-N
3-Phenylpropyl cinnamate Toxicity Data With Reference
| 1. | orl-rat LD50:>5 g/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),969. | ||
| 2. | skn-rbt LD50:>5 g/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),969. |
3-Phenylpropyl cinnamate Consensus Reports
Reported in EPA TSCA Inventory.
3-Phenylpropyl cinnamate Safety Profile
Low toxicity by ingestion and skin contact. When heated to decomposition 3-Phenylpropyl cinnamate (CAS NO.122-68-9) emits acrid smoke and irritating vapors.
3-Phenylpropyl cinnamate Specification
3-Phenylpropyl cinnamate , its cas register number is 122-68-9. It also can be called Cinnamic acid, 3-phenylpropyl ester ; 3-Phenylpropyl 3-phenyl-2-propenoate ; and Hydrocinnamyl 3-phenylpropenoate .
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