1-(2-Chlorophenyl)-3,3-dimethyl-1-butanone
[CAS# 898764-68-6]

Identification

• Name: 1-(2-Chlorophenyl)-3,3-dimethyl-1-butanone
• Synonyms: 2'-Chloro-3,3-dimethylbutyrophenone; MFCD07699549
• Molecular Formula: C₁₂H₁₅ClO
• Molecular Weight: 210.70
• CAS Registry Number: 898764-68-6
• SMILES: O=C(CC(C)(C)C)c1ccccc1Cl
• InChI: 1S/C12H15ClO/c1-12(2,3)8-11(14)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3
• InChIKey: XQLMESJVWPRFFT-UHFFFAOYSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 260.654°C at 760 mmHg (Cal.)
• Flash point: 154.953°C (Cal.)
• Refractive index: 1.511 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE