2,2-Dimethyl-4-[4-(methylsulfanyl)phenyl]-4-oxobutanoic acid
[CAS# 898766-73-9]

Identification

• Name: 2,2-Dimethyl-4-[4-(methylsulfanyl)phenyl]-4-oxobutanoic acid
• Synonyms: 2,2-dimethyl-4-oxo-4-(4-thiomethylphenyl)butryic acid
• Molecular Formula: C₁₃H₁₆O₃S
• Molecular Weight: 252.33
• CAS Registry Number: 898766-73-9
• SMILES: CSc1ccc(cc1)C(=O)CC(C)(C)C(O)=O
• InChI: 1S/C13H16O3S/c1-13(2,12(15)16)8-11(14)9-4-6-10(17-3)7-5-9/h4-7H,8H2,1-3H3,(H,15,16)
• InChIKey: ZQZAVGUPRASPHG-UHFFFAOYSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 443.072°C at 760 mmHg (Cal.)
• Flash point: 221.762°C (Cal.)
• Refractive index: 1.568 (Cal.)