1-[Methyl(1-Methylethyl)Phenyl]Ethan-1-One
[CAS# 71617-19-1]

Identification

• Name: 1-[Methyl(1-Methylethyl)Phenyl]Ethan-1-One
• Synonyms: 1-(2-Isopropyl-3-Methyl-Phenyl)Ethanone; 1-(2-Isopropyl-3-Methylphenyl)Ethanone; 1-(3-Methyl-2-Propan-2-Yl-Phenyl)Ethanone
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.26
• CAS Registry Number: 71617-19-1
• EINECS: 275-711-4
• SMILES: C1=CC=C(C(=C1C(=O)C)C(C)C)C
• InChI: 1S/C12H16O/c1-8(2)12-9(3)6-5-7-11(12)10(4)13/h5-8H,1-4H3
• InChIKey: UVZLBPXCXKYVQA-UHFFFAOYSA-N

Properties

• Density: 0.941g/cm³ (Cal.)
• Boiling point: 264.45°C at 760 mmHg (Cal.)
• Flash point: 105.913°C (Cal.)