2,5-dimethyl-3-thiofuroyl furan
2,5-dimethyl-3-thiofuroylfuran
Identification
| Name | 2,5-dimethyl-3-thiofuroyl furan |
| IUPAC | 3-(2-furoylthio)-2,5-dimethylfuran |
| CAS Number | 65505-16-0 |
| EINECS | 265-796-6 |
| FDA UNII | UKO0R8C89U |
| Molecular Formula | C11 H10 O3 S |
| Molecular Weight | 222.26330000 |
| Nikkaji Number | J307.421H |
| CoE Number | 2323 |
Regulatory
| JECFA Food Flavoring | 1071 2,5-dimethyl-3-thiofuroylfuran |
| DG SANTE Food Flavourings | 13.040 2,5-dimethyl-3-thiofuroylfuran |
Physical Properties
| Appearance | yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.04700 to 1.05800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.712 to 8.804 |
| Refractive Index | 1.51200 to 1.51900 @ 20.00 °C. |
| Boiling Point | 79.00 to 83.00 °C. @ 0.70 mm Hg |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point | 262.00 °F. TCC ( 127.78 °C. ) |
| logP (o/w) | 2.506 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
Safety Information
| Oral/Parenteral Toxicity | gavage-mouse LD50 [sex: M,F] 625 mg/kg |
| 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 2,5-dimethyl-3-thiofuroyl furan 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) | 0.01 (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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Potential Uses
Natural Occurrence
Synonyms
S-(2,5-
dimethyl-3-furanyl) 2-furancarbothioate
S-2,5-
dimethyl-3-furyl thio-2-furoate
S-(2,5-
dimethyl-3-furyl) furan-2-carbothioate
S-(2,5-
dimethyl-3-furyl) thio-2-furoate
S-(2,5-
dimethyl-3-furyl) thio-3-furoate
2,5-
dimethyl-3-thiofuroylfuran
2,5-
dimethylthiofuroylfuran
3-
furan carbothioic acid S-(2,5-dimethyl-3-furanyl) ester
2-
furancarbothioic acid, S-(2,5-dimethyl-3-furanyl) ester
3-(2-
furoylthio)-2,5-dimethylfuran
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