2-acetyl-3-methyl thiophene
1-(3-methylthiophen-2-yl)ethanone
Identification
| Name | 2-acetyl-3-methyl thiophene |
| IUPAC | 1-(3-methylthiophen-2-yl)ethanone |
| CAS Number | 13679-72-6 |
| EINECS | 237-179-1 |
| FDA UNII | Search |
| Molecular Formula | C7 H8 O S |
| Molecular Weight | 140.20496000 |
| MDL Number | MFCD00005443 |
| Nikkaji Number | J277.986B |
| CoE Number | 11590 |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.13000 to 1.13600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.403 to 9.453 |
| Refractive Index | 1.55800 to 1.56400 @ 20.00 °C. |
| Boiling Point | 216.00 °C. @ 760.00 mm Hg, 98.00 to 99.00 °C. @ 14.00 mm Hg |
| Vapor Pressure | 0.152000 mmHg @ 25.00 °C. (est) |
| Flash Point | 198.00 °F. TCC ( 92.22 °C. ) |
| logP (o/w) | 0.683 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | phenolic wintergreen almond floral cananga |
| Taste Description | sweet honey-like |
Safety Information
| Preferred SDS | View |
| 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-acetyl-3-methyl thiophene usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.18 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 78 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| Dairy products, excluding products of category 02.0 (01.0) | 0.20000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.10000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.20000 |
| Processed fruit (04.1) | 0.20000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 0.20000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.10000 |
| Bakery wares (07.0) | 0.20000 |
| Meat and meat products, including poultry and game (08.0) | 0.10000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.10000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.10000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.20000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.10000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.20000 |
| Ready-to-eat savouries (15.0) | 0.40000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.10000 |
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Potential Uses
Natural Occurrence
Synonyms
2-
acetyl-3-methylthiophene
ethan-1-one, 1-(3-methyl-2-thienyl)-
ethanone, 1-(3-methyl-2-thienyl)-
3-
methyl-2-acetylthiophene
1-(3-
methyl-2-thienyl) ethan-1-one
1-(3-
methyl-2-thienyl)-1-ethanone
1-(3-
methyl-2-thienyl)ethan-1-one
1-(3-
methyl-2-thienyl)ethanone
1-(3-
methylthiophen-2-yl)ethan-1-one
1-(3-
methylthiophen-2-yl)ethanone
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3,952,024 - Furfurylthioacetone
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Certain 2,5-dimethyl-3-thiopyrazines
US Patents:
Flavoring agent