4-[(1E)-3-(4-Isobutylphenyl)-3-Oxo-1-Propen-1-Yl]Benzonitrile
[CAS# 175205-29-5]

Identification

• Name: 4-[(1E)-3-(4-Isobutylphenyl)-3-Oxo-1-Propen-1-Yl]Benzonitrile
• Synonyms: 3-(4-CYANOPHENYL)-1-(4-ISOBUTYLPHENYL)PROP-2-EN-1-ONE; 4-[(1E)-3-(4-Isobutylphenyl)-3-oxo-1-propen-1-yl]benzonitril; 4-[(1E)-3-(4-Isobutylphenyl)-3-oxo-1-propen-1-yl]benzonitrile
• Molecular Formula: C₂₀H₁₉NO
• Molecular Weight: 289.37
• CAS Registry Number: 175205-29-5
• SMILES: CC(C)Cc1ccc(cc1)C(=O)/C=C/c2ccc(cc2)C#N
• InChI: 1S/C20H19NO/c1-15(2)13-17-7-10-19(11-8-17)20(22)12-9-16-3-5-18(14-21)6-4-16/h3-12,15H,13H2,1-2H3/b12-9+
• InChIKey: XWBGSZAFBDBXOB-FMIVXFBMSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 470.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 238.2±28.7°C (Cal.)
• Refractive index: 1.582 (Cal.)