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| CAS No.: | 91-48-5 |
|---|---|
| Name: | alpha-Phenylcinnamic Acid |
| Molecular Structure: | |
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| Formula: | C15H12O2 |
| Molecular Weight: | 224.259 |
| 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; |
| EINECS: | 202-069-4 |
| Density: | 1.198 g/cm3 |
| Melting Point: | 172-174 °C(lit.) |
| Boiling Point: | 336.6 °C at 760 mmHg |
| Flash Point: | 239.8 °C |
| Appearance: | light yellow powder |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 37.30000 |
| LogP: | 3.31180 |
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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