3-acetyl-2,5-dimethyl thiophene
3-acetyl-2,5-dimethylthiophene
Identification
| Name | 3-acetyl-2,5-dimethyl thiophene |
| IUPAC | 1-(2,5-dimethylthiophen-3-yl)ethanone |
| CAS Number | 2530-10-1 |
| EINECS | 219-779-5 |
| FDA UNII | VDV865T91P |
| Molecular Formula | C8 H10 O S |
| Molecular Weight | 154.23190000 |
| MDL Number | MFCD00009763 |
| Nikkaji Number | J71.219A |
| Beilstein | 0112095 |
| CoE Number | 11603 |
Regulatory
| JECFA Food Flavoring | 1051 3-acetyl-2,5-dimethylthiophene |
| DG SANTE Food Flavourings | 15.024 3-acetyl-2,5-dimethylthiophene |
| FEMA Number | 3527 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 3-ACETYL-2,5-DIMETHYLTHIOPHENE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.08600 @ 25.00 °C., 1.08400 to 1.08800 @ 25.00 °C. |
| Pounds per Gallon - est. | 9.020 to 9.053 |
| Refractive Index | 1.54400 @ 20.00 °C. |
| Boiling Point | 223.00 to 225.00 °C. @ 760.00 mm Hg, 105.00 to 108.00 °C. @ 15.00 mm Hg |
| Vapor Pressure | 0.098000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w) | 0.476 (est) |
| Soluble in | alcohol |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Burnt, roasted nutty notes
|
| Taste Description |
sweet dried hazelnut almond marzipan roasted
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 260 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 3-acetyl-2,5-dimethyl thiophene usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 18.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.20 (μg/capita/day) |
| Structure Class | II |
| 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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