Introduction：Basic information about 2-Methylthiophene CAS 554-14-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Methylthiophene Basic information
| Product Name: | 2-Methylthiophene |
| Synonyms: | 2-Methylthiophene CAS NO.554-14-3;2-methylthiacyclopentadiene (2-methylthiophene);2-methyl-thiophen;alpha-methylthiophene;2-METHYLTHIOPHENE;2MT;2-Methylthiophene,98%;methylthiophene,2-methylthiophene |
| CAS: | 554-14-3 |
| MF: | C5H6S |
| MW: | 98.17 |
| EINECS: | 209-063-0 |
| Product Categories: | Heterocycle-oher series;Chemistry;Building Blocks;Heterocyclic Building Blocks;Thiophene&Benzothiophene;Heterocycles;Thiophenes;thiophene Flavor |
| Mol File: | 554-14-3.mol |
|
2-Methylthiophene Chemical Properties
| Melting point | -63 °C (lit.) |
| Boiling point | 113 °C (lit.) |
| density | 1.014 g/mL at 25 °C (lit.) |
| vapor pressure | 47.6 mm Hg ( 37.7 °C) |
| refractive index | n20/D 1.52(lit.) |
| Fp | 45 °F |
| storage temp. | 2-8°C |
| solubility | immiscible |
| form | Liquid |
| color | Clear colorless to yellow |
| Specific Gravity | 1.025 (20℃) |
| Odor | at 0.01 % in propylene glycol. sulfurous alliaceous onion roasted green |
| Odor Type | sulfurous |
| Water Solubility | immiscible |
| BRN | 103734 |
| InChI | 1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3 |
| InChIKey | XQQBUAPQHNYYRS-UHFFFAOYSA-N |
| SMILES | Cc1cccs1 |
| LogP | 2.330 |
| CAS DataBase Reference | 554-14-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Thiophene, 2-methyl-(554-14-3) |
| EPA Substance Registry System | Thiophene, 2-methyl- (554-14-3) |
Safety Information
| Hazard Codes | F,Xn,Xi |
| Risk Statements | 11-22-36/37/38-37-2017/11/22 |
| Safety Statements | 16-37/39-26-36-33-7/9 |
| RIDADR | UN 1993 3/PG 2 |
| WGK Germany | 3 |
| RTECS | XM9625000 |
| F | 10-13 |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29349990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 2 |
2-Methylthiophene Usage And Synthesis
| Chemical Properties | clear colorless to slightly yellow liquid |
| Uses | 2-Methylthiophene, is used as a flavoring agent that naturally occurs in grilled and roasted beef, papaya, cooked shrimp, whiskey, and in trace amounts in roasted chicken; |
| Definition | ChEBI: 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. |
| Production Methods | 2-Methylthiophene is commercially producedto 98 wt% purity by VP cyclization. |
| Application | 2-Methylthiophene is a feasible raw material for the productionof several of the important 2-substituted thiophenes. It may be used to manufacture 2-chloromethylthiophene (2-thenyl chloride), but thisand further syntheses must be completed in situ,because of its instability. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 14, p. 638, 1949 DOI: 10.1021/jo01156a016
Tetrahedron Letters, 22, p. 2443, 1981 DOI: 10.1016/S0040-4039(01)92928-4 |
2-Methylthiophene Preparation Products And Raw materials
| Raw materials | Thiophene(SIV) (9CI)-->2,3,5-TRIMETHYLTHIOPHENE-->2-Ethyl-5-methylthiophene-->2-N-BUTYLTHIOPHENE |
| Preparation Products | 5-METHYLTHIOPHEN-2-YLMETHYLAMINE-->METHYL 4-METHYLTHIOPHENE-2-CARBOXYLATE-->5-Methylthiophene-2-boronic acid-->2-(Chloromethyl)thiophene-->4-Methyl-2-thiophenecarboxylic acid-->2-Bromo-5-methylthiophene-->5-Methylthiophene-2-carboxaldehyde-->4-Bromo-5-methyl-2-thiophenecarbaldehyde-->2-METHYLTETRAHYDROTHIOPHENE-->3,5-DIBROMO-2-METHYLTHIOPHENE |
