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

Catalog	ACM61295418
CAS	61295-41-8
Structure
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
Purity	95%+
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