3,3-Dimethyl-1-(2-methylphenyl)-1-butanone
[CAS# 898785-47-2]

Identification

• Name: 3,3-Dimethyl-1-(2-methylphenyl)-1-butanone
• Synonyms: 2',3,3-Trimethylbutyrophenone; MFCD03841074
• Molecular Formula: C₁₃H₁₈O
• Molecular Weight: 190.28
• CAS Registry Number: 898785-47-2
• SMILES: O=C(CC(C)(C)C)c1ccccc1C
• InChI: 1S/C13H18O/c1-10-7-5-6-8-11(10)12(14)9-13(2,3)4/h5-8H,9H2,1-4H3
• InChIKey: VMITUSFJYSOWOE-UHFFFAOYSA-N

Properties

• Density: 0.936g/cm³ (Cal.)
• Boiling point: 267.758°C at 760 mmHg (Cal.)
• Flash point: 106.494°C (Cal.)
• Refractive index: 1.498 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE