3-(4'-Butylphenylthio)-1,1,1-Trifluoropropan-2-One
[CAS# 99541-30-7]

Identification

• Name: 3-(4'-Butylphenylthio)-1,1,1-Trifluoropropan-2-One
• Synonyms: 3-(4-Butylphenyl)Sulfanyl-1,1,1-Trifluoro-Propan-2-One; 3-[(4-Butylphenyl)Thio]-1,1,1-Trifluoropropan-2-One; 3-[(4-Butylphenyl)Thio]-1,1,1-Trifluoro-Acetone
• Molecular Formula: C₁₃H₁₅F₃OS
• Molecular Weight: 276.32
• CAS Registry Number: 99541-30-7
• SMILES: C1=C(C=CC(=C1)CCCC)SCC(C(F)(F)F)=O
• InChI: 1S/C13H15F3OS/c1-2-3-4-10-5-7-11(8-6-10)18-9-12(17)13(14,15)16/h5-8H,2-4,9H2,1H3
• InChIKey: MVODFEYTKNQFJM-UHFFFAOYSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 307.664°C at 760 mmHg (Cal.)
• Flash point: 139.87°C (Cal.)