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Basic Information
CAS No.: 7493-78-9
Name: ALPHA-N-AMYL CINNAMYL ACETATE
Molecular Structure:
Molecular Structure of 7493-78-9 (ALPHA-N-AMYL CINNAMYL ACETATE)
Formula: C16H22 O2
Molecular Weight: 246.38
Synonyms: 1-Heptanol,2-(phenylmethylene)-, acetate (9CI); 1-Heptanol, 2-benzylidene-, acetate (8CI);a-Amylcinnamyl acetate
Density: 0.986g/cm3
Boiling Point: 353.9°C at 760 mmHg
Flash Point: 128.3°C
Safety: Moderately toxic skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 26.30000
LogP: 4.21340
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Chemistry

Empirical Formula of Amyl cinnamic acetate (CAS NO.7493-78-9): C16H22O2
Molecular Weight: 246.3447 
EINECS: 231-339-4 
Index of Refraction: 1.523
Density: 0.988 g/cm3
Flash Point: 128.3 °C
Enthalpy of Vaporization: 59.89 kJ/mol
Boiling Point: 353.9 °C at 760 mmHg
Vapour Pressure: 3.47E-05 mmHg at 25 °C
Structure of Amyl cinnamic acetate (CAS NO.7493-78-9):
                       
IUPAC Name: [(E)-1-Phenyloct-1-en-3-yl] acetate
Canonical SMILES: CCCCCC(C=CC1=CC=CC=C1)OC(=O)C
Isomeric SMILES: CCCCCC(/C=C/C1=CC=CC=C1)OC(=O)C
InChI: InChI=1S/C16H22O2/c1-3-4-6-11-16(18-14(2)17)13-12-15-9-7-5-8-10-15/h5,7-10,12-13,16H,3-4,6,11H2,1-2H3/b13-12+
InChIKey: PHOQNPPEIYLGSI-OUKQBFOZSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H

     FCTXAV    Food and Cosmetics Toxicology. 14 (1976),659.

Safety Profile

Moderately toxic skin irritant. When heated to decomposition Amyl cinnamic acetate (CAS NO.7493-78-9) emits acrid smoke and irritating fumes.

Specification

 Amyl cinnamic acetate , its cas register number is 7493-78-9. It also can be called alpha-Amyl-beta-phenylacryl acetate ; alpha-Amylcinnamyl acetate ; and 1-Heptanol, 2-benzylidene-, acetate (8CI) .