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2-acetyl-5-methyl thiophene
General Material Information
| Preferred name | 2-acetyl-5-methyl thiophene |
| Trivial Name | 2-Acetyl-5-methylthiophene |
| Short Description | 1-(5-methylthiophen-2-yl)ethanone |
| Formula | C7 H8 O S |
| CAS Number | 13679-74-8 |
| FEMA Number | 4643 |
| ECHA Number | 237-181-2 |
| FDA UNII | 2HS3I278W9 |
| Nikkaji Number | J45.610A |
| Beilstein Number | 0110854 |
| MDL | MFCD00014529 |
| xLogP3-AA | 2.00 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 2107 2-acetyl-5-methylthiophene |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 13679-74-8 ; 2-ACETYL-5-METHYLTHIOPHENE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 1-(5-methylthiophen-2-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 83655 |
| Pubchem (sid): | 135041228 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Certain 2,5-dimethyl-3-thiopyrazines | |
| Flavoring agent | |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB33130 |
| FooDB: | FDB011131 |
| Export Tariff Code: | 2934.99.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 140.20495605469 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 9.33 to 9.414 |
| Refractive Index | 1.557 to 1.567 @ 20 °C |
| Melting Point | 24 to 28°C @ 760 mm Hg |
| Boiling Point | 232 to 234°C @ 760 mm Hg |
| Boiling Point | 65 to 67°C @ 1 mm Hg |
| Vapor Pressure | 0.052 mmHg @ 25 °C |
| Flash Point TCC Value | 95.56 °C TCC |
| logP (o/w) | 1.345 est |
| Solubility | |
| alcohol | Yes |
| water, 1510 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Spicy | |
| sweet, spicy, honey, hawthorn, almond, acacia, hyacinth, caramellic, graham cracker | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 11 hour(s) at 100.00 % |
| Luebke, William tgsc, (2017) | At 1.00 % in propylene glycol. sweet spicy honey hawthorn almond acacia hyacinth caramellic graham cracker |
| Flavor Type: Floral | |
| sweet, floral, green, nutty, almond, honey, acacia, caramellic, hawthorn | |
| Luebke, William tgsc, (2017) | Sweet floral green nutty almond honey acacia caramellic hawthorn |
Occurrences
| (data available) |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| intraperitoneal-mouse LD50 230 mg/kg LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Annales Pharmaceutiques Francaises. Vol. 5, Pg. 16, 1947. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for 2-acetyl-5-methyl thiophene usage levels up to: | |||
| not for fragrance use. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.00500 | 0.05000 | |
| beverages(nonalcoholic): | 0.00100 | 0.01000 | |
| 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: | 0.00100 | 0.01000 | |
| 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: | 0.00300 | 0.10000 | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :83655 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:3 |
| 1-(5-methylthiophen-2-yl)ethanone |
| Chemidplus:0013679748 |
| RTECS:OB4972000 for cas# 13679-74-8 |