(2E)-1-(4-Methoxyphenyl)-3-Phenyl-2-Propen-1-One
[CAS# 22966-19-4]

Identification

• Name: (2E)-1-(4-Methoxyphenyl)-3-Phenyl-2-Propen-1-One
• Synonyms: (2E)-1-(4-Methoxyphenyl)-3-phenyl-2-propen-1-one #; (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one; (E)-1-(4-Methoxy-phenyl)-3-phenyl-propenone
• Molecular Formula: C₁₆H₁₄O₂
• Molecular Weight: 238.28
• CAS Registry Number: 22966-19-4
• SMILES: COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2
• InChI: 1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
• InChIKey: KJHHAPASNNVTSN-KPKJPENVSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 101-103°C (Expl.)
• Boiling point: 397.5±42.0°C at 760 mmHg (Cal.)
• Flash point: 180.5±21.4°C (Cal.)
• Refractive index: 1.606 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT

References

• (1): Cutler et al.. A Predictive Model for Drug Bioaccumulation and Bioactivity in Caenorhabditis elegans, Nature Chemical Biology, 2010