Ethanethioic Acid S-[1-Methyl-1-(4-Methyl-2-Oxocyclohexyl)Ethyl] Ester
[CAS# 94293-57-9]

Identification

• Name: Ethanethioic Acid S-[1-Methyl-1-(4-Methyl-2-Oxocyclohexyl)Ethyl] Ester
• Synonyms: O-[1-Methyl-1-[(1S)-4-Methyl-2-Oxo-Cyclohexyl]Ethyl] Ethanethioate; Ethanethioic Acid O-[1-Methyl-1-[(1S)-4-Methyl-2-Oxocyclohexyl]Ethyl] Ester; Ethanethioic Acid O-[1-[(1S)-2-Keto-4-Methyl-Cyclohexyl]-1-Methyl-Ethyl] Ester
• Molecular Formula: C₁₂H₂₀O₂S
• Molecular Weight: 228.35
• CAS Registry Number: 94293-57-9
• EINECS: 304-949-4
• SMILES: [C@@H]1(C(OC(=S)C)(C)C)CCC(CC1=O)C
• InChI: 1S/C12H20O2S/c1-8-5-6-10(11(13)7-8)12(3,4)14-9(2)15/h8,10H,5-7H2,1-4H3/t8?,10-/m1/s1
• InChIKey: ICHFAYSVCHABJK-LHIURRSHSA-N

Properties

• Density: 1.052g/cm³ (Cal.)
• Boiling point: 305.313°C at 760 mmHg (Cal.)
• Flash point: 138.449°C (Cal.)