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CAS No.: | 122-68-9 |
---|---|
Name: | 3-PHENYLPROPYL CINNAMATE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C18H18 O2 |
Molecular Weight: | 266.34 |
Synonyms: | Cinnamicacid, 3-phenylpropyl ester (7CI,8CI); Hydrocinnamyl cinnamate; Phenylpropylcinnamate |
EINECS: | 204-565-6 |
Density: | 1.091 g/cm3 |
Boiling Point: | 420.2 °C at 760 mmHg |
Flash Point: | 260.6 °C |
Solubility: | insoluble in water; soluble in oils |
Appearance: | colorless clear liquid |
Safety: | Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. |
PSA: | 26.30000 |
LogP: | 4.04670 |
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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
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. |
Reported in EPA TSCA Inventory.
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 , 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 .