• Name

  METHYL A-METHYLCINNAMATE

• EINECS
• CAS No. 25692-59-5
• Article Data32
• CAS DataBase
• Density 1.057 g/cm³
• Solubility
• Melting Point
• Formula C₁₁H₁₂O₂
• Boiling Point 262.6 °C at 760 mmHg
• Molecular Weight 176.215
• Flash Point 141.2 °C
• Transport Information
• Appearance
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms Methyl (2Z)-2-methyl-3-phenylprop-2-enoate;
• PSA 26.30000
• LogP 2.26290

Methyl (2Z)-2-methyl-3-phenylprop-2-enoate Specification

This chemical is called Methyl (2Z)-2-methyl-3-phenylprop-2-enoate, and its CAS registry number is 25692-59-5. With the molecular formula of C₁₁H₁₂O₂, its molecular weight is 176.21.

Other characteristics of the Methyl (2Z)-2-methyl-3-phenylprop-2-enoate can be summarised as followings: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.548; (8)Molar Refractivity: 53.02 cm³; (9)Molar Volume: 166.7 cm³; (10)Polarizability: 21.02×10^-24cm³; (11)Surface Tension: 36.8 dyne/cm; (12)Density: 1.057 g/cm³; (13)Flash Point: 141.2 °C; (14)Enthalpy of Vaporization: 50.04 kJ/mol; (15)Boiling Point: 262.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0108 mmHg at 25°C.

Production method of this chemical: The Methyl (2Z)-2-methyl-3-phenylprop-2-enoate could be obtained by the reactant of 2-(bromo-phenyl-methyl)-2-methyl-malonic acid dimethyl ester. This reaction needs the solvent of hexamethylphosphoric acid triamide. The yield is 70 %.

 

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)\C(=C/c1ccccc1)C
2.InChI: InChI=1/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-
3.InChIKey: QILOUBBQVGUFNG-HJWRWDBZBG