1-(3-Methoxyphenyl)-2,2-dimethyl-1-butanone
[CAS# 898765-06-5]

Identification

• Name: 1-(3-Methoxyphenyl)-2,2-dimethyl-1-butanone
• Synonyms: 2,2-Dimethyl-3'-methoxybutyrophenone
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 898765-06-5
• SMILES: COc1cc(ccc1)C(=O)C(C)(C)CC
• InChI: 1S/C13H18O2/c1-5-13(2,3)12(14)10-7-6-8-11(9-10)15-4/h6-9H,5H2,1-4H3
• InChIKey: NBOIICJGHFQZNS-UHFFFAOYSA-N

Properties

• Density: 0.977g/cm³ (Cal.)
• Boiling point: 285.971°C at 760 mmHg (Cal.)
• Flash point: 110.529°C (Cal.)
• Refractive index: 1.494 (Cal.)