2-Butyryl-3-(Ethylsulfanyl)-5,5-Dimethyl-2-Cyclohexen-1-One
[CAS# 174842-59-2]

Identification

• Name: 2-Butyryl-3-(Ethylsulfanyl)-5,5-Dimethyl-2-Cyclohexen-1-One
• Synonyms: 2-butyryl-3-(ethylthio)-5,5-dimethyl-2-cyclohexen-1-one; BIM-0016320.P001; CBMicro_016411
• Molecular Formula: C₁₄H₂₂O₂S
• Molecular Weight: 254.39
• CAS Registry Number: 174842-59-2
• SMILES: O=C1\C(=C(\SCC)CC(C)(C)C1)C(=O)CCC
• InChI: 1S/C14H22O2S/c1-5-7-10(15)13-11(16)8-14(3,4)9-12(13)17-6-2/h5-9H2,1-4H3
• InChIKey: HSBHRTIMJLNKLC-UHFFFAOYSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 370.459°C at 760 mmHg (Cal.)
• Flash point: 151.2°C (Cal.)
• Refractive index: 1.51 (Cal.)