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3-Phenylpropyl cinnamate

  • Name 3-Phenylpropyl cinnamate
  • EINECS204-565-6
  • CAS No. 122-68-9
  • Density1.091 g/cm3
  • PSA26.30000
  • LogP4.04670
  • Solubilityinsoluble in water; soluble in oils
  • Melting PointN/A
  • FormulaC18H18 O2
  • Boiling Point420.2 °C at 760 mmHg
  • Molecular Weight266.34
  • Flash Point260.6 °C
  • Transport InformationN/A
  • Appearancecolorless clear liquid
  • SafetyLow toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 122-68-9 (3-PHENYLPROPYL CINNAMATE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data13

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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