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

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Catalog Number
ACM61295418
Product Name
3-(2-Methyl-3-furylthio)-4-heptanone
Structure
Structure
CAS
61295-41-8
Category
Heterocyclic Organic Compound
Synonyms
3-((2-Methylfuran-3-yl)thio)heptan-4-one
IUPAC Name
3-(2-Methylfuran-3-yl)sulfanylheptan-4-one
Molecular Weight
226.34
Molecular Formula
C12H18O2S
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
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