3,3-Dimethyl-4-Phenylbutan-2-One
[CAS# 13705-37-8]

Identification

• Name: 3,3-Dimethyl-4-Phenylbutan-2-One
• Synonyms: 3,3-Dimethyl-4-Phenyl-Butan-2-One
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.26
• CAS Registry Number: 13705-37-8
• EINECS: 237-240-2
• SMILES: C1=C(CC(C(=O)C)(C)C)C=CC=C1
• InChI: 1S/C12H16O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
• InChIKey: UBNAVIPKORDBNB-UHFFFAOYSA-N

Properties

• Density: 0.95g/cm³ (Cal.)
• Boiling point: 248.777°C at 760 mmHg (Cal.)
• Flash point: 95.009°C (Cal.)