2,2-Dimethyl-1-(3-methylphenyl)-1-butanone
[CAS# 898765-02-1]

Identification

• Name: 2,2-Dimethyl-1-(3-methylphenyl)-1-butanone
• Synonyms: 3',2,2-Trimethylbutyrophenone; MFCD03841117
• Molecular Formula: C₁₃H₁₈O
• Molecular Weight: 190.28
• CAS Registry Number: 898765-02-1
• SMILES: O=C(c1cc(C)ccc1)C(C)(C)CC
• InChI: 1S/C13H18O/c1-5-13(3,4)12(14)11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3
• InChIKey: BADFBYVDQVSVMG-UHFFFAOYSA-N

Properties

• Density: 0.936g/cm³ (Cal.)
• Boiling point: 272.883°C at 760 mmHg (Cal.)
• Flash point: 109.419°C (Cal.)
• Refractive index: 1.498 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE