Introduction：Basic information about Dihydro-2-methyl-3(2H)-thiophenone CAS 13679-85-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Dihydro-2-methyl-3(2H)-thiophenone Basic information
| Product Name: | Dihydro-2-methyl-3(2H)-thiophenone |
| Synonyms: | 2-Methyl-3-thiolanone;2-Methyldihydro-3(2H)-thiophenone;2-Methylthiolan-3-one;2-methytetrahydrothiophen-3-one;3(2H)-Thiophenone, dihydro-2-methyl-;4,5-dihydro-2-methyl-3(2H)-thiophenone;4,5-dihydro-2-methylthiophen-3(2H)-one;4,5-dihydro-2- |
| CAS: | 13679-85-1 |
| MF: | C5H8OS |
| MW: | 116.18 |
| EINECS: | 237-183-3 |
| Product Categories: | Alphabetical Listings;Flavors and Fragrances;M-N;Sulfides flavors;thiophene Flavor;API intermediates |
| Mol File: | 13679-85-1.mol |
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Dihydro-2-methyl-3(2H)-thiophenone Chemical Properties
| Boiling point | 82 °C28 mm Hg(lit.) |
| density | 1.119 g/mL at 25 °C(lit.) |
| FEMA | 3512 | 2-METHYLTETRAHYDROTHIOPHEN-3-ONE |
| refractive index | n20/D 1.508(lit.) |
| Fp | 160 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | clear liquid |
| color | Colorless to Light orange to Yellow |
| Odor | at 0.10 % in dipropylene glycol. sulfur fruity berry |
| Odor Type | sulfurous |
| biological source | synthetic |
| JECFA Number | 499 |
| BRN | 106443 |
| Major Application | flavors and fragrances |
| InChI | 1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3 |
| InChIKey | YMZZPMVKABUEBL-UHFFFAOYSA-N |
| SMILES | CC1SCCC1=O |
| LogP | 0.20 |
| CAS DataBase Reference | 13679-85-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 3(2H)-thiophenone, dihydro-2-methyl-(13679-85-1) |
| EPA Substance Registry System | 3(2H)-Thiophenone, dihydro-2-methyl- (13679-85-1) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29309090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
Dihydro-2-methyl-3(2H)-thiophenone Usage And Synthesis
| Chemical Properties | Light yellow liquid |
| Occurrence | Reported found in beer, coffee, corn, roasted peanuts, cooked beef and pork, malt whiskey, grape wines, tea,strawberry and bilberry wine, butter and malt |
| Uses | 2-Methyltetrahydrothiophen-3-one is a dually substituted thiophene with butter and balsamic organoleptic qualities. |
| Definition | ChEBI: 2-methylthiolan-3-one is a member of the class of tetrahydrothiophenes that is thiolane substituted by a methyl group at position 2 and an oxo group at position 3 respectively. It has a role as a flavouring agent and a metabolite. It is a member of tetrahydrothiophenes and a cyclic ketone. It derives from a hydride of a tetrahydrothiophene. |
| Aroma threshold values | Aroma characteristics at 1.0%: pungent, alliaceous, coffee with a gasoline nuance |
| Taste threshold values | Taste characteristics at 5 ppm: horseradish and onion with a slight bite and a milky nuance |
Dihydro-2-methyl-3(2H)-thiophenone Preparation Products And Raw materials
