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21140-85-2

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Basic Information
CAS No.: 21140-85-2
Name: (2E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoic acid
Article Data: 8
Molecular Structure:
Molecular Structure of 21140-85-2 ((2E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoic acid)
Formula: C16H14O3
Molecular Weight: 254.285
Density: 1.204g/cm3
Boiling Point: 374.2°C at 760 mmHg
Flash Point: 135.9°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits acrid smoke and irritating fumes.
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Chemistry

IUPAC Name: (E)-3-(2-Methoxyphenyl)-2-phenylprop-2-enoic acid
Synonyms of trans-3-(o-Methoxyphenyl)-2-phenyl-acrylic acid (CAS NO.21140-85-2) : Acide alpha phenyl-ortho-methoxycinnamique ; Cinnamic acid, o-methoxy-alpha-phenyl- (E)- ; trans-3-(O-Methoxyphenyl)-2-phenylacrylic acid ; Acrylic acid, 3-(o-methoxyphenyl)-2-phenyl- (E)-
InChI:InChI=1/C16H14O3/c1-19-15-10-6-5-9-13(15)11-14(16(17)18)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/b14-11+   
CAS NO:21140-85-2
Molecular Formula:C16H14O3                                                               
Molecular Weight :254.2806        
Molecular Structure :
Index of Refraction:1.63             
Surface Tension:  49.6 dyne/cm 
Density:  1.204 g/cm3 
Flash Point:  135.9 °C 
Enthalpy of Vaporization:  65.57 kJ/mol 
Boiling Point:  374.2 °C at 760 mmHg 
Vapour Pressure:  2.91E-06 mmHg at 25°C 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1gm/kg (1000mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 119, Pg. 443, 1959.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 119, Pg. 443, 1959.
mouse LD50 oral 1100mg/kg (1100mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 119, Pg. 443, 1959.
mouse LD50 subcutaneous 440mg/kg (440mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 119, Pg. 443, 1959.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When trans-3-(o-Methoxyphenyl)-2-phenyl-acrylic acid (CAS NO.21140-85-2) is heated to decomposition, it emits acrid smoke and irritating fumes.