3-[3-(2,6-Dimethylphenyl)propanoyl]benzonitrile
[CAS# 898754-43-3]

Identification

• Name: 3-[3-(2,6-Dimethylphenyl)propanoyl]benzonitrile
• Synonyms: 3'-cyano-3-(2,6-dimethylphenyl)propiophenone
• Molecular Formula: C₁₈H₁₇NO
• Molecular Weight: 263.33
• CAS Registry Number: 898754-43-3
• SMILES: N#Cc1cccc(c1)C(=O)CCc2c(C)cccc2C
• InChI: 1S/C18H17NO/c1-13-5-3-6-14(2)17(13)9-10-18(20)16-8-4-7-15(11-16)12-19/h3-8,11H,9-10H2,1-2H3
• InChIKey: LHYHAEJLYSHVDI-UHFFFAOYSA-N

Properties

• Density: 1.106g/cm³ (Cal.)
• Boiling point: 448.132°C at 760 mmHg (Cal.)
• Flash point: 224.823°C (Cal.)
• Refractive index: 1.58 (Cal.)