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61295-41-8

61295-41-8 structural image
Product Name: 3-(2-Methyl-3-furylthio)-4-heptanone
Formula: C12H18O2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear colourless to pale yellow iquid; roast, meaty odour
Solubility Insoluble in water; soluble in fat
Density 1.041-1.045
Refractive Index 1.496-1.502

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.

COMPUTED DESCRIPTORS

Molecular Weight 226.34 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 226.10275099 g/mol
Monoisotopic Mass 226.10275099 g/mol
Topological Polar Surface Area 55.5 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 206
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-[(2-Methyl-3-furanyl)thio]-4-heptanone is an aryl sulfide.