2-Propenoic acid, 3-phenyl-, ethyl ester, (2E)- supplier

Name
ethyl-(E)-cinnamate,ethyl-trans-cinnamate
EINECS
CAS No. 4192-77-2
Article Data584
CAS DataBase
Density 1.056 g/cm³
Solubility Insoluble in water
Melting Point 125℃
Formula C₁₁H₁₂O₂
Boiling Point 269.35 °C at 760 mmHg
Molecular Weight 176.215
Flash Point 148.572 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (E)-3-Phenyl-2-propenoic acid ethyl;(2E)-3-phenylprop-2-enoate;trans-Cinnamic acid ethyl;Ethyl (2E)-3-phenylacrylate;
PSA 26.30000
LogP 2.26290

2-Propenoic acid, 3-phenyl-, ethyl ester, (2E)- Specification

The 2-Propenoic acid, 3-phenyl-, ethyl ester, (2E)-, with the CAS registry number 4192-77-2, is also known as (E)-3-Phenyl-2-propenoic acid ethyl. This chemical's molecular formula is C₁₁H₁₂O₂ and molecular weight is 176.21. What's more, its systematic name is Ethyl (2E)-3-phenylprop-2-enoate.

Physical properties of 2-Propenoic acid, 3-phenyl-, ethyl ester, (2E)- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.967; (4)ACD/LogD (pH 7.4): 2.967; (5)ACD/BCF (pH 5.5): 105.947; (6)ACD/BCF (pH 7.4): 105.947; (7)ACD/KOC (pH 5.5): 979.871; (8)ACD/KOC (pH 7.4): 979.871; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 53.183 cm³; (15)Molar Volume: 166.905 cm³; (16)Polarizability: 21.083×10^-24cm³; (17)Surface Tension: 38.051 dyne/cm; (18)Density: 1.056 g/cm³; (19)Flash Point: 148.572 °C; (20)Enthalpy of Vaporization: 50.747 kJ/mol; (21)Boiling Point: 269.35 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C=CC1=CC=CC=C1
(2)InChI: InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
(3)InChIKey: KBEBGUQPQBELIU-CMDGGOBGSA-N

Product Name

ethyl-(E)-cinnamate,ethyl-trans-cinnamate

2-Propenoic acid, 3-phenyl-, ethyl ester, (2E)- Specification

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