3-(1,1-Dimethylethyl)-3-Methyl-2(3H)-Thiophenone
[CAS# 57556-18-0]

Identification

• Name: 3-(1,1-Dimethylethyl)-3-Methyl-2(3H)-Thiophenone
• Synonyms: 3-Tert-Butyl-3-Methyl-Thiophen-2-One; 3-Tert-Butyl-3-Methyl-2-Thiophenone; 2(3H)-Thiophenone,3-(1,1-Dimethylethyl)-3-Methyl-
• Molecular Formula: C₉H₁₄OS
• Molecular Weight: 170.27
• CAS Registry Number: 57556-18-0
• SMILES: CC1(C=CSC1=O)C(C)(C)C
• InChI: 1S/C9H14OS/c1-8(2,3)9(4)5-6-11-7(9)10/h5-6H,1-4H3
• InChIKey: QIHAUAVZSKDDQK-UHFFFAOYSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 209.858°C at 760 mmHg (Cal.)
• Flash point: 72.579°C (Cal.)