2-thiophene thiol
2-thienylmercaptan
Identification
| Name | 2-thiophene thiol |
| IUPAC | thiophene-2-thiol |
| CAS Number | 7774-74-5 |
| EINECS | 231-881-1 |
| FDA UNII | F3LB1437XQ |
| Molecular Formula | C4 H4 S2 |
| Molecular Weight | 116.20588000 |
| MDL Number | MFCD00051666 |
| Nikkaji Number | J101.034D |
| Beilstein | 0104650 |
| CoE Number | 478 |
| XlogP3 | 2.20 (est) |
Regulatory
| JECFA Food Flavoring | 1052 2-thienylmercaptan |
| DG SANTE Food Flavourings | 15.001 2-thienylmercaptan |
| FEMA Number | 3062 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 7774-74-5 ; 2-THIENYL MERCAPTAN |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | yellow to orange clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.25000 to 1.23500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 10.401 to 10.276 |
| Refractive Index | 1.61800 to 1.63200 @ 20.00 °C. |
| Boiling Point | 166.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 2.302000 mmHg @ 25.00 °C. (est) |
| Flash Point | 150.00 °F. TCC ( 65.56 °C. ) |
| logP (o/w) | 2.100 (est) |
| Soluble in | dipropylene glycol |
| Insoluble in | alcohol |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
| Taste Description | coffee |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 2-thiophene thiol usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.03 (μg/capita/day) |
| Structure Class | III |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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