1-(3-hydroxy-5-methyl-2-thienyl) ethanone
1-(3-hydroxy-5-methyl-2-thienyl)ethanone
Identification
| Name | 1-(3-hydroxy-5-methyl-2-thienyl) ethanone |
| IUPAC | 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone |
| CAS Number | 133860-42-1 |
| FDA UNII | U0W0KQ1EET |
| Molecular Formula | C7 H8 O2 S |
| Molecular Weight | 156.20416000 |
Regulatory
| JECFA Food Flavoring | 1750 1-(3-hydroxy-5-methyl-2-thienyl)ethanone |
| FEMA Number | 4142 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 133860-42-1 ; 1-(3-HYDROXY-5-METHYL-2-THIENYL)ETHANONE |
Physical Properties
| Appearance | white to pale yellow solid (est) |
| Assay | 98.30 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 73.00 to 76.00 °C. @ 760.00 mm Hg |
| Boiling Point | 268.00 to 269.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point | 245.00 °F. TCC ( 118.50 °C. ) (est) |
| logP (o/w) | 1.473 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| 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 1-(3-hydroxy-5-methyl-2-thienyl) ethanone 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) | ND (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | ND (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| baked goods | 0.20000 |
| beverages(nonalcoholic) | 0.10000 |
| beverages(alcoholic) | 0.10000 |
| breakfast cereal | 0.20000 |
| cheese | - |
| chewing gum | 2.00000 |
| condiments / relishes | - |
| confectionery froastings | 0.20000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | 0.10000 |
| gelatins / puddings | 0.10000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.30000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | 0.20000 |
| meat products | - |
| milk products | 0.20000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 3.00000 |
| snack foods | - |
| soft candy | 2.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
ethanone, 1-(3-hydroxy-5-methyl-2-thienyl)-
1-(3-
hydroxy-5-methyl-2-thienyl)-ethanone
1-(3-
hydroxy-5-methyl-2-thienyl)ethanone
1-(3-
hydroxy-5-methylthiophen-2-yl)ethanone
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