Ethyl 2,2-dimethyl-4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate
[CAS# 898753-74-7]

Identification

• Name: Ethyl 2,2-dimethyl-4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate
• Synonyms: ethyl 2,2-dimethyl-4-oxo-4-(4-thiomethylphenyl)butyrate
• Molecular Formula: C₁₅H₂₀O₃S
• Molecular Weight: 280.38
• CAS Registry Number: 898753-74-7
• SMILES: CSc1ccc(cc1)C(=O)CC(C)(C)C(=O)OCC
• InChI: 1S/C15H20O3S/c1-5-18-14(17)15(2,3)10-13(16)11-6-8-12(19-4)9-7-11/h6-9H,5,10H2,1-4H3
• InChIKey: DWRNVUCGRORFCU-UHFFFAOYSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 407.964°C at 760 mmHg (Cal.)
• Flash point: 193.728°C (Cal.)
• Refractive index: 1.534 (Cal.)