S-(2,5-Dimethyl-3-Furyl) 3-Methylbutanethioate
[CAS# 55764-28-8]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Thioether perfume
• Name: S-(2,5-Dimethyl-3-Furyl) 3-Methylbutanethioate
• Synonyms: S-[(2,5-Dimethyl-3-Furyl)] 3-Methylbutanethioate; 3-Methylbutanethioic Acid S-[(2,5-Dimethyl-3-Furyl)] Ester; 2,5-Dimethyl-3-Thioisovaleryl Furan
• Molecular Formula: C₁₁H₁₆O₂S
• Molecular Weight: 212.31
• CAS Registry Number: 55764-28-8
• EINECS: 259-802-6
• FEMA: 3482
• SMILES: C1=C(OC(=C1SC(CC(C)C)=O)C)C
• InChI: 1S/C11H16O2S/c1-7(2)5-11(12)14-10-6-8(3)13-9(10)4/h6-7H,5H2,1-4H3
• InChIKey: XFNLWIPNTYNNJX-UHFFFAOYSA-N

Properties

• Density: 1.071g/cm³ (Cal.)
• Boiling point: 277°C at 760 mmHg (Cal.)
• Flash point: 121.326°C (Cal.)
• Refractive index: 1.492-1.508 (Expl.)