2,6-Dimethyl-3-[(2-Methyl-3-Furyl)Thio]Heptan-4-One
[CAS# 61295-51-0]

Identification

• Name: 2,6-Dimethyl-3-[(2-Methyl-3-Furyl)Thio]Heptan-4-One
• Synonyms: 2,6-Dimethyl-3-[(2-Methyl-3-Furyl)Sulfanyl]Heptan-4-One; 2,6-Dimethyl-3-[(2-Methyl-3-Furyl)Thio]Heptan-4-One; 2,6-Dimethyl-3-(2-Methylfuran-3-Yl)Sulfanyl-Heptan-4-One
• Molecular Formula: C₁₄H₂₂O₂S
• Molecular Weight: 254.39
• CAS Registry Number: 61295-51-0
• EINECS: 262-692-2
• FEMA: 3538
• SMILES: C1=COC(=C1SC(C(CC(C)C)=O)C(C)C)C
• InChI: 1S/C14H22O2S/c1-9(2)8-12(15)14(10(3)4)17-13-6-7-16-11(13)5/h6-7,9-10,14H,8H2,1-5H3
• InChIKey: PFFLSEMCPNTWOY-UHFFFAOYSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 90-92°C (Expl.)
• Flash point: 145.273°C (Cal.)
• Refractive index: 1.488-1.494 (Expl.)