S-[2-(4-Methyl-5-Oxo-3-Cyclohexen-1-Yl)Propyl] Ethanethioate
[CAS# 84473-67-6]

Identification

• Name: S-[2-(4-Methyl-5-Oxo-3-Cyclohexen-1-Yl)Propyl] Ethanethioate
• Synonyms: Ethanethioic Acid S-[2-(4-Methyl-5-Oxo-1-Cyclohex-3-Enyl)Propyl] Ester; Ethanethioic Acid S-[2-(5-Keto-4-Methyl-1-Cyclohex-3-Enyl)Propyl] Ester; S-(2-(4-Methyl-5-Oxo-3-Cyclohexen-1-Yl)Propyl) Ethanethioate
• Molecular Formula: C₁₂H₁₈O₂S
• Molecular Weight: 226.33
• CAS Registry Number: 84473-67-6
• EINECS: 282-922-5
• SMILES: C(SC(=O)C)C(C1CC(=O)C(=CC1)C)C
• InChI: 1S/C12H18O2S/c1-8-4-5-11(6-12(8)14)9(2)7-15-10(3)13/h4,9,11H,5-7H2,1-3H3
• InChIKey: JJZIVRQXLDKOHI-UHFFFAOYSA-N

Properties

• Density: 1.076g/cm³ (Cal.)
• Boiling point: 339.514°C at 760 mmHg (Cal.)
• Flash point: 140.375°C (Cal.)