3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
[CAS# 898756-78-0]

Identification

• Name: 3-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
• Synonyms: 3'-cyano-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
• Molecular Formula: C₁₈H₂₃NO₃
• Molecular Weight: 301.38
• CAS Registry Number: 898756-78-0
• SMILES: N#Cc1cccc(c1)C(=O)CCCCC2OCC(C)(C)CO2
• InChI: 1S/C18H23NO3/c1-18(2)12-21-17(22-13-18)9-4-3-8-16(20)15-7-5-6-14(10-15)11-19/h5-7,10,17H,3-4,8-9,12-13H2,1-2H3
• InChIKey: GHYAOWUJSMPQQW-UHFFFAOYSA-N

Properties

• Density: 1.11g/cm³ (Cal.)
• Boiling point: 434.988°C at 760 mmHg (Cal.)
• Flash point: 189.976°C (Cal.)
• Refractive index: 1.529 (Cal.)