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7780-06-5

Basic Information
CAS No.: 7780-06-5
Name: 2-Propenoic acid,3-phenyl-, 1-methylethyl ester
Article Data: 29
Cas Database
Molecular Structure:
Molecular Structure of 7780-06-5 (2-Propenoic acid,3-phenyl-, 1-methylethyl ester)
Formula: C12H14O2
Molecular Weight: 190.242
Synonyms: Cinnamicacid, isopropyl ester (6CI,7CI,8CI);iso-Propyl cinnamate;
EINECS: 231-949-0
Density: 1.035 g/cm3
Melting Point: 39 °C
Boiling Point: 269 °C at 760 mmHg
Flash Point: 149.2 °C
Solubility: N/A
Appearance: clear yellow liquid
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 24/25-22
Transport Information: N/A
PSA: 26.30000
LogP: 2.65140
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Chemistry

Product Name: Isopropyl cinnamate (CAS NO.7780-06-5)


Molecular Formula: C12H14O2
Molecular Weight: 190.23836g/mol
Mol File: 7780-06-5.mol
Einecs: 231-949-0
Appearance: Clear yellow liquid
Boiling point: 269 °C at 760 mmHg
Flash Point: 149.2 °C
Density: 1.02 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.546(lit.)
Surface Tension: 36.4 dyne/cm
Enthalpy of Vaporization: 50.71 kJ/mol
Vapour Pressure: 0.00744 mmHg at 25°C
XLogP3: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Product Categories: Aromatic Cinnamic Acids, Esters and Derivatives; API intermediates

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2700uL/kg (2.7mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
guinea pig LD50 skin > 10mL/kg (10mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 365, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 365, 1988.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
Safety Information of Isopropyl cinnamate (CAS NO.7780-06-5): 
Safety Statements: 24/25-22
22:  Harmful if swallowed
24:  Toxic in contact with skin 
25:  Toxic if swallowed 

Specification

 Isopropyl cinnamate ,its CAS NO. is 7780-06-5,the synonyms is 1-Methylethyl3-phenyl-2-propenoate ; 2-Propenoicacid,3-phenyl-,1-methylethylester ; 3-Phenyl-2-propenoicaci1-methylethylester;isopropyl (2e)-3-phenyl-2-propenoate ; Isopropylester kyseliny skoricove ; Isopropylesterkyselinyskoricove ; Isopropyl cinnamate, 98 ; Isopropyl cinnamate 96+% .