CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless to pale yellow liquid; Savoury roasted onion aroma |
|---|---|
| Boiling Point | 144.00 to 146.00 °C. @ 760.00 mm Hg |
| Solubility | Practically insoluble to insoluble in water |
| Density | 1.002-1.008 (20°) |
| Refractive Index | 1.517-1.523 |
| Kovats Retention Index | 883.5 885 898 888 887 889 882 885 867 870 882 883 882 883 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.19 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.03467143 g/mol |
| Monoisotopic Mass | 112.03467143 g/mol |
| Topological Polar Surface Area | 28.2 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 53.2 |
| 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
3,4-dimethylthiophene is a thiophene that is substituted by methyl groups at positions 3 and 4. It has a role as a flavouring agent, a plant metabolite and a human urinary metabolite.