3,3-Dimethyl-1-[4-(Methylsulfanyl)Phenyl]-1-Butanone
[CAS# 440121-15-3]

Identification

• Name: 3,3-Dimethyl-1-[4-(Methylsulfanyl)Phenyl]-1-Butanone
• Synonyms: 3,3-dimethyl-4'-thiomethylbutyrophenone
• Molecular Formula: C₁₃H₁₈OS
• Molecular Weight: 222.35
• CAS Registry Number: 440121-15-3
• SMILES: CSc1ccc(cc1)C(=O)CC(C)(C)C
• InChI: 1S/C13H18OS/c1-13(2,3)9-12(14)10-5-7-11(15-4)8-6-10/h5-8H,9H2,1-4H3
• InChIKey: RZICHTKGCMCCRV-UHFFFAOYSA-N

Properties

• Density: 1.028g/cm³ (Cal.)
• Boiling point: 330.496°C at 760 mmHg (Cal.)
• Flash point: 160.714°C (Cal.)
• Refractive index: 1.534 (Cal.)