Ethyl (2E)-2-Cyano-3-(4-Methylphenyl)Acrylate
[CAS# 2017-88-1]

Identification

• Name: Ethyl (2E)-2-Cyano-3-(4-Methylphenyl)Acrylate
• Synonyms: (E)-Ethyl 2-cyano-3-(4-methylphenyl)acrylate; Ethyl (2E)-2-cyano-3-(4-methylphenyl)-2-propenoate #; Ethyl (2E)-2-cyano-3-(4-methylphenyl)prop-2-enoate
• Molecular Formula: C₁₃H₁₃NO₂
• Molecular Weight: 215.25
• CAS Registry Number: 2017-88-1
• SMILES: N#C\C(=C/c1ccc(cc1)C)C(=O)OCC
• InChI: 1S/C13H13NO2/c1-3-16-13(15)12(9-14)8-11-6-4-10(2)5-7-11/h4-8H,3H2,1-2H3/b12-8+
• InChIKey: KKIZDEFOEGGSKX-XYOKQWHBSA-N

Properties

• Density: 1.116g/cm³ (Cal.)
• Melting point: 86-89°C (Expl.)
• Boiling point: 348.751°C at 760 mmHg (Cal.)
• Flash point: 166.135°C (Cal.)
• Refractive index: 1.56 (Cal.)

Safety Data

• Safety Description: Irritant

References

• (1): Y. He, J. Shi and G. Su. Structure of ethyl 2-cyano-3-(4-methylphenyl)propenoate, Acta Cryst. (1993). C49, 2000-2002