methyl 2-thiofuroate
S-methyl 2-thiofuroate
Identification
| Name | methyl 2-thiofuroate |
| IUPAC | S-methyl furan-2-carbothioate |
| CAS Number | 13679-61-3 |
| EINECS | 237-177-0 |
| FDA UNII | 9H9BCF87R7 |
| Molecular Formula | C6 H6 O2 S |
| Molecular Weight | 142.17722000 |
| MDL Number | MFCD00040266 |
| Nikkaji Number | J101.273H |
| CoE Number | 11547 |
| XlogP3 | 1.40 (est) |
Regulatory
| JECFA Food Flavoring | 1083 S-methyl thiofuroate |
| DG SANTE Food Flavourings | 13.142 S-methyl 2-furanthiocarboxylate |
| FEMA Number | 3311 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 13679-61-3 ; METHYL 2-THIOFUROATE |
Physical Properties
| Appearance | pale yellow to brown clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.23000 to 1.24100 @ 25.00 °C. |
| Pounds per Gallon - (est). | 10.235 to 10.326 |
| Refractive Index | 1.56700 to 1.57300 @ 20.00 °C. |
| Boiling Point | 63.00 °C. @ 2.00 mm Hg, 92.00 to 93.00 °C. @ 11.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.669000 mmHg @ 25.00 °C. (est) |
| Flash Point | 201.00 °F. TCC ( 93.89 °C. ) |
| logP (o/w) | 2.458 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | stable in most media |
Organoleptic Properties
| Odor Description |
at 0.10 % in dipropylene glycol. Fried, cooked onion
|
| Taste Description | cabbage |
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 methyl 2-thiofuroate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.37 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| NOEL (No Observed Effect Level) | 0.74 (mg/kg bw per 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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