4-(3,3-Dimethylbutanoyl)benzonitrile
[CAS# 898764-23-3]

Identification

• Name: 4-(3,3-Dimethylbutanoyl)benzonitrile
• Synonyms: 4'-cyano-3,3-dimethylbutyrophenone
• Molecular Formula: C₁₃H₁₅NO
• Molecular Weight: 201.26
• CAS Registry Number: 898764-23-3
• SMILES: N#Cc1ccc(cc1)C(=O)CC(C)(C)C
• InChI: 1S/C13H15NO/c1-13(2,3)8-12(15)11-6-4-10(9-14)5-7-11/h4-7H,8H2,1-3H3
• InChIKey: CVJXFSMSODVEKY-UHFFFAOYSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 332.47°C at 760 mmHg (Cal.)
• Flash point: 154.873°C (Cal.)
• Refractive index: 1.516 (Cal.)