S-[1-Methyl-1-(4-Methyl-2-Oxocyclohexyl)Ethyl] (1R-trans)Ethanethioate
[CAS# 57074-34-7]

Identification

• Name: S-[1-Methyl-1-(4-Methyl-2-Oxocyclohexyl)Ethyl] (1R-trans)Ethanethioate
• Synonyms: S-[1-Methyl-1-(4-Methyl-2-Oxo-Cyclohexyl)Ethyl] Ethanethioate; Ethanethioic Acid S-[1-Methyl-1-(4-Methyl-2-Oxocyclohexyl)Ethyl] Ester; Ethanethioic Acid S-[1-(2-Keto-4-Methyl-Cyclohexyl)-1-Methyl-Ethyl] Ester
• Molecular Formula: C₁₂H₂₀O₂S
• Molecular Weight: 228.35
• CAS Registry Number: 57074-34-7 (57129-12-1)
• EINECS: 260-546-2
• SMILES: CC(C1C(CC(CC1)C)=O)(SC(=O)C)C
• InChI: 1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3
• InChIKey: AMXPURQVAMENCC-UHFFFAOYSA-N

Properties

• Density: 1.053g/cm³ (Cal.)
• Boiling point: 320.451°C at 760 mmHg (Cal.)
• Flash point: 127.72°C (Cal.)