alpha-Phenylcinnamic Acid supplier

Name
alpha-Phenylcinnamic Acid
EINECS 202-069-4
CAS No. 91-48-5
Article Data122
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point 172-174 °C(lit.)
Formula C₁₅H₁₂O₂
Boiling Point 336.6 °C at 760 mmHg
Molecular Weight 224.259
Flash Point 239.8 °C
Transport Information
Appearance light yellow powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Acrylicacid, 2,3-diphenyl-, (E)- (8CI);Acrylic acid, 2,3-diphenyl-, trans- (5CI);Benzeneacetic acid, a-(phenylmethylene)-, (E)-;(E)-2,3-Diphenyl-2-propenoic acid;(E)-2,3-Diphenylacrylic acid;(E)-2,3-Diphenylpropenoic acid;(E)-a-(Phenylmethylene)benzeneaceticacid;(E)-a-Phenylcinnamic acid;(E)-a-Stilbenecarboxylic acid;2,3-Diphenylacrylic acid;trans-2,3-Diphenyl-2-propenoic acid;trans-2,3-Diphenylacrylic acid;trans-2,3-Diphenylpropenoic acid;trans-a-Phenylcinnamic acid;
PSA 37.30000
LogP 3.31180

alpha-Phenylcinnamic Acid Specification

The alpha-Phenylcinnamic Acid, with CAS registry number 91-48-5, belongs to the following product categories: (1)Aromatic Cinnamic Acids, Esters and Derivatives; (2)C13 to C42+; (3)Carbonyl Compounds; (4)Carboxylic Acids. It has the systematic name of (2E)-2,3-diphenylprop-2-enoic acid. This chemical is a kind of white to light yellow powder. And the chemical formula of this chemical is C₁₅H₁₂O₂. What's more, its EINECS is 202-069-4.

Physical properties of alpha-Phenylcinnamic Acid: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 17.91; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.48; (8)ACD/KOC (pH 7.4): 2.24; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 68.48 cm³; (15)Molar Volume: 187.1 cm³; (16)Polarizability: 27.15×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.198 g/cm³; (19)Flash Point: 239.8 °C; (20)Enthalpy of Vaporization: 61.19 kJ/mol; (21)Boiling Point: 336.6 °C at 760 mmHg; (22)Vapour Pressure: 4.35E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The alpha-Phenylcinnamic Acid irritates to eyes, respiratory system and skin. When use it, please avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C(=C\c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+
(3)InChIKey: BIDDLDNGQCUOJQ-SDNWHVSQBV
(4)Std. InChI: InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+
(5)Std. InChIKey: BIDDLDNGQCUOJQ-SDNWHVSQSA-N

Product Name

alpha-Phenylcinnamic Acid

alpha-Phenylcinnamic Acid Specification

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