CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 112.00 °C. @ 760.00 mm Hg |
| Melting Point | -63.4 °C |
| Solubility | 112.6 mg/L @ 25 °C (exp) |
| Vapor Pressure | 24.9 [mmHg] |
| LogP | 2.33 |
| Kovats Retention Index | 745 748 745 748 753 761 774 765 770 755 793 758 754 758 745 770 770 770 745 748 775 753 745.4 749 752 752 767 762 753.3 750 750 750 750 763 755 757 |
| Chemical Classes | Other Classes -> Thiophenes |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H225:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 98.17 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 98.01902136 g/mol |
| Monoisotopic Mass | 98.01902136 g/mol |
| Topological Polar Surface Area | 28.2 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 43.2 |
| 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
2-methylthiophene is a member of the class of thiophenes that is thiophene in which the hydrogen atom at position 2 is substituted by a methyl group. It has a role as a flavouring agent and a Maillard reaction product. It is a member of thiophenes and a volatile organic compound. It is functionally related to a thiophene.