CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear colourless to pale yellow iquid; roast, meaty odour |
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Solubility | Insoluble in water; soluble in fat |
Density | 1.041-1.045 |
Refractive Index | 1.496-1.502 |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.