3-[4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanoyl]benzonitrile
[CAS# 898756-74-6]

Identification

• Name: 3-[4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanoyl]benzonitrile
• Synonyms: 3'-cyano-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
• Molecular Formula: C₁₇H₂₁NO₃
• Molecular Weight: 287.35
• CAS Registry Number: 898756-74-6
• SMILES: N#Cc1cccc(c1)C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C17H21NO3/c1-17(2)11-20-16(21-12-17)8-4-7-15(19)14-6-3-5-13(9-14)10-18/h3,5-6,9,16H,4,7-8,11-12H2,1-2H3
• InChIKey: IFRCKMYZYRAAQC-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 422.482°C at 760 mmHg (Cal.)
• Flash point: 184.657°C (Cal.)
• Refractive index: 1.532 (Cal.)