CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pale yellow to yellow; strong sulfuraceous, burnt odour, coffee, alliaceous taste |
|---|---|
| Boiling Point | 66.00 to 67.00 °C. @ 23.00 mm Hg |
| Solubility | Insoluble in water; soluble in corn oil |
| Density | 1.055-1.059/ (20°) |
| Refractive Index | 1.514-1.520 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.19 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 128.02958605 g/mol |
| Monoisotopic Mass | 128.02958605 g/mol |
| Topological Polar Surface Area | 38.4 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 74.9 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-methyl-5-(methylthio)furan is a member of the class of furans that is furan substituted by methyl and methylsulfanyl groups at positions 2 and 5, respectively. It is a metabolite found in coffee and human urine. It has a role as a flavouring agent, a human urinary metabolite and a plant metabolite. It is a member of furans and a methyl sulfide.