3-(2-Methyl-3-furylthio)-4-heptanone

• CAS: 61295-41-8
• Catalog Number: ACM61295418
• Category: Other Products
• Molecular Weight: 226.34
• Molecular Formula: C₁₂H₁₈O₂S
• Synonyms: 3-((2-Methylfuran-3-yl)thio)heptan-4-one
• IUPAC Name: 3-(2-Methylfuran-3-yl)sulfanylheptan-4-one
• Canonical SMILES: CCCC(=O)C(CC)SC1=C(OC=C1)C
• InChI: InChI=1S/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3
• InChI Key: GFRRQSASJZMMJC-UHFFFAOYSA-N
• Boiling Point: 293.3±35.0 °C
• Density: 1.05±0.1 g/cm³
• Solubility: Insoluble in water; soluble in fat
• Exact Mass: 226.10275099
• Monoisotopic Mass: 226.10275099
• Odor: Roast, meaty odor
• Physical State: Liquid
• Refractive Index: n20/D 1.5015(lit.)
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 55.5 Ų