4-Methyl-3-Tert-Butyl-5H-Thiophen-2-One
[CAS# 57556-15-7]

Identification

• Name: 4-Methyl-3-Tert-Butyl-5H-Thiophen-2-One
• Synonyms: 2(5H)-Thiophenone, 3-(1,1-Dimethylethyl)-5-Methyl-; 2(5H)-Thiophenone,3-(1,1-Dimethylethyl)-5-Methyl-
• Molecular Formula: C₉H₁₄OS
• Molecular Weight: 170.27
• CAS Registry Number: 57556-15-7
• SMILES: CC1=C(C(SC1)=O)C(C)(C)C
• InChI: 1S/C9H14OS/c1-6-5-11-8(10)7(6)9(2,3)4/h5H2,1-4H3
• InChIKey: TXYNAPPCSQHSQU-UHFFFAOYSA-N

Properties

• Density: 1.063g/cm³ (Cal.)
• Boiling point: 254.219°C at 760 mmHg (Cal.)
• Flash point: 101.785°C (Cal.)