Ethyl [[2-(4-Methyl-5-Oxo-3-Cyclohexen-1-Yl)Propyl]Thio]Acetate
[CAS# 84083-20-5]

Identification

• Name: Ethyl [[2-(4-Methyl-5-Oxo-3-Cyclohexen-1-Yl)Propyl]Thio]Acetate
• Synonyms: 2-[2-(4-Methyl-5-Oxo-1-Cyclohex-3-Enyl)Propylthio]Acetic Acid Ethyl Ester; 2-[2-(5-Keto-4-Methyl-1-Cyclohex-3-Enyl)Propylthio]Acetic Acid Ethyl Ester; Ethyl 2-[2-(4-Methyl-5-Oxo-1-Cyclohex-3-Enyl)Propylsulfanyl]Ethanoate
• Molecular Formula: C₁₄H₂₂O₃S
• Molecular Weight: 270.39
• CAS Registry Number: 84083-20-5
• EINECS: 282-069-9
• SMILES: C(SCC(OCC)=O)C(C1CC(=O)C(=CC1)C)C
• InChI: 1S/C14H22O3S/c1-4-17-14(16)9-18-8-11(3)12-6-5-10(2)13(15)7-12/h5,11-12H,4,6-9H2,1-3H3
• InChIKey: WNVHAXMFWZJTDZ-UHFFFAOYSA-N

Properties

• Density: 1.082g/cm³ (Cal.)
• Boiling point: 381.348°C at 760 mmHg (Cal.)
• Flash point: 176.911°C (Cal.)