Benzene-2-Butenoic Acid Ethyl Ester
[CAS# 54966-42-6]

Identification

• Name: Benzene-2-Butenoic Acid Ethyl Ester
• Synonyms: Ethyl 4-Phenylbut-2-Enoate; (E)-4-Phenylbut-2-Enoic Acid Ethyl Ester; 4-Phenylbut-2-Enoic Acid Ethyl Ester
• Molecular Formula: C₁₂H₁₄O₂
• Molecular Weight: 190.24
• CAS Registry Number: 54966-42-6
• SMILES: C1=CC=CC=C1C/C=C/C(OCC)=O
• InChI: 1S/C12H14O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-8,10H,2,9H2,1H3/b10-6+
• InChIKey: LYZBCBTUPJJIKA-UXBLZVDNSA-N

Properties

• Density: 1.026g/cm³ (Cal.)
• Boiling point: 281.41°C at 760 mmHg (Cal.)
• Flash point: 150.886°C (Cal.)

References

• (1): Paul G. Bulger, Mark G. Moloney and Paul C. Trippier. A multicomponent coupling strategy suitable for the synthesis of the triene component of the oxazolomycin antibiotics, Org. Biomol. Chem., 2003, 1, 3726.