Ethyl 3-phenyl-2-butenoate supplier

Name
ETHYL TRANS-BETA-METHYLCINNAMATE
EINECS
CAS No. 945-93-7
Article Data175
CAS DataBase
Density 1.018 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄O₂
Boiling Point 268.5 °C at 760 mmHg
Molecular Weight 190.242
Flash Point 143.7 °C
Transport Information
Appearance
Safety 24-25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinnamicacid, b-methyl-, ethyl ester(6CI,7CI,8CI);3-Phenyl-but-2-enoic acid ethyl ester;Ethyl trans-beta-methylcinnamate;Ethyl 3-phenylcrotonate;
PSA 26.30000
LogP 2.65300

Ethyl 3-phenyl-2-butenoate Specification

The 2-Butenoic acid,3-phenyl-, ethyl ester with CAS registry number of 945-93-7 is also known as 3-Phenyl-but-2-enoic acid ethyl ester. The systematic name is Ethyl 3-phenyl-2-butenoate. It belongs to product categories of Aromatic Cinnamic Acids, Esters and Derivatives. In addition, the formula is C₁₂H₁₄O₂ and the molecular weight is 190.24.

Physical properties about 2-Butenoic acid,3-phenyl-, ethyl ester are: (1)ACD/LogP: 3.26; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 4 (4)Index of Refraction: 1.516; (5)Molar Refractivity: 56.45 cm³; (6)Molar Volume: 186.7 cm³; (7)Surface Tension: 35.1 dyne/cm; (8)Density: 1.018 g/cm³; (9)Flash Point: 143.7 °C; (10)Enthalpy of Vaporization: 50.66 kJ/mol; (11)Boiling Point: 268.5 °C at 760 mmHg; (12)Vapour Pressure: 0.00767 mmHg at 25 °C.

Preparation of 2-Butenoic acid,3-phenyl-, ethyl ester: it is prepared by reaction of 1-phenyl-ethanone with diethoxyphosphoryl-acetic acid ethyl ester. The reaction occurs with reagent sodium ethoxide and solvent ethanol in two steps. The yield is about 92%.

2-Butenoic acid,3-phenyl-, ethyl ester is prepared by reaction of 1-phenyl-ethanone with diethoxyphosphoryl-acetic acid ethyl ester.

Uses of 2-Butenoic acid,3-phenyl-, ethyl ester: it is used to produce 3-phenyl-butyric acid ethyl ester. The reaction occurs with reagent H₂, catalyst 5percent Pd-C and solvent ethanol at ambient temperature. The yield is about 92%.

2-Butenoic acid,3-phenyl-, ethyl ester is used to produce 3-phenyl-butyric acid ethyl ester.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OCC)C=C(c1ccccc1)C
2. InChI: InChI=1/C12H14O2/c1-3-14-12(13)9-10(2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
3. InChIKey: BSXHSWOMMFBMLL-UHFFFAOYAK
4. Std. InChI: InChI=1S/C12H14O2/c1-3-14-12(13)9-10(2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
5. Std. InChIKey: BSXHSWOMMFBMLL-UHFFFAOYSA-N

Product Name

ETHYL TRANS-BETA-METHYLCINNAMATE

Ethyl 3-phenyl-2-butenoate Specification

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