2-[3-(2,6-Dimethylphenyl)propanoyl]benzonitrile
[CAS# 898754-40-0]

Identification

• Name: 2-[3-(2,6-Dimethylphenyl)propanoyl]benzonitrile
• Synonyms: 2'-cyano-3-(2,6-dimethylphenyl)propiophenone
• Molecular Formula: C₁₈H₁₇NO
• Molecular Weight: 263.33
• CAS Registry Number: 898754-40-0
• SMILES: N#Cc2ccccc2C(=O)CCc1c(C)cccc1C
• InChI: 1S/C18H17NO/c1-13-6-5-7-14(2)16(13)10-11-18(20)17-9-4-3-8-15(17)12-19/h3-9H,10-11H2,1-2H3
• InChIKey: CYCAJOLVMFGIPH-UHFFFAOYSA-N

Properties

• Density: 1.106g/cm³ (Cal.)
• Boiling point: 451.591°C at 760 mmHg (Cal.)
• Flash point: 226.915°C (Cal.)
• Refractive index: 1.58 (Cal.)