S-[1-Methyl-1-(4-Methyl-5-Oxo-3-Cyclohexen-1-Yl)Ethyl] Ethanethioate
[CAS# 93805-73-3]

Identification

• Name: S-[1-Methyl-1-(4-Methyl-5-Oxo-3-Cyclohexen-1-Yl)Ethyl] Ethanethioate
• Synonyms: S-[1-Methyl-1-(4-Methyl-5-Oxo-1-Cyclohex-3-Enyl)Ethyl] Ethanethioate; Ethanethioic Acid S-[1-Methyl-1-(4-Methyl-5-Oxo-1-Cyclohex-3-Enyl)Ethyl] Ester; Ethanethioic Acid S-[1-(5-Keto-4-Methyl-1-Cyclohex-3-Enyl)-1-Methyl-Ethyl] Ester
• Molecular Formula: C₁₂H₁₈O₂S
• Molecular Weight: 226.33
• CAS Registry Number: 93805-73-3
• EINECS: 298-556-4
• SMILES: CC(SC(=O)C)(C1CC(=O)C(=CC1)C)C
• InChI: 1S/C12H18O2S/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3
• InChIKey: LAEKDWBTDIBHPP-UHFFFAOYSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 332.187°C at 760 mmHg (Cal.)
• Flash point: 135.982°C (Cal.)