(E)-3-Phenylbut-2-Enal
[CAS# 1196-67-4]

Identification

• Name: (E)-3-Phenylbut-2-Enal
• Synonyms: 3-Phenylbut-2-Enal; 2-Propenal, 3-Methyl-3-Phenyl-; 3-Phenyl-2-Butenal
• Molecular Formula: C₁₀H₁₀O
• Molecular Weight: 146.19
• CAS Registry Number: 1196-67-4
• SMILES: C1=C(C(=C/C=O)/C)C=CC=C1
• InChI: 1S/C10H10O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-8H,1H3/b9-7+
• InChIKey: IEARORYJISZKGK-VQHVLOKHSA-N

Properties

• Density: 0.991g/cm³ (Cal.)
• Boiling point: 248.403°C at 760 mmHg (Cal.)
• Flash point: 88.192°C (Cal.)

References

• (1): Miller David J.. Competitive inhibition of aristolochene synthase by phenyl-substituted farnesyl diphosphates: evidence of active site plasticity, Organic & Biomolecular Chemistry, 2007