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3-acetyl-2,5-dimethyl thiophene
General Material Information
| Preferred name | 3-acetyl-2,5-dimethyl thiophene |
| Trivial Name | 3-Acetyl-2,5-dimethylthiophene |
| Short Description | 3-acetyl-2,5-dimethylthiophene |
| Formula | C8 H10 O S |
| CAS Number | 2530-10-1 |
| Flavis Number | 15.024 |
| ECHA Number | 219-779-5 |
| FDA UNII | VDV865T91P |
| Nikkaji Number | J71.219A |
| Beilstein Number | 0112095 |
| MDL | MFCD00009763 |
| COE Number | 11603 |
| xLogP3-AA | 2.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1051 3-acetyl-2,5-dimethylthiophene |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 3-ACETYL-2,5-DIMETHYLTHIOPHENE |
| 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-(2,5-dimethylthiophen-3-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2530-10-1 |
| Pubchem (cid): | 520191 |
| Pubchem (sid): | 135262970 |
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 |
| HMDB (The Human Metabolome Database): | HMDB40589 |
| FooDB: | FDB020372 |
| Export Tariff Code: | 2934.90.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 154.23190307617 |
| Specific gravity | 1.086 @ 25 °C |
| Pounds per Gallon | |
| Specific gravity | 1.084 - 1.088 @ 25 °C |
| Pounds per Gallon | 9.02 to 9.053 |
| Boiling Point | 223 to 225°C @ 760 mm HG |
| Boiling Point | 105 to 108°C @ 15 mm HG |
| Vapor Pressure | 0.098 mm HG @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 0.476 est |
| Solubility | |
| alcohol | Yes |
| water, 447.6 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Burnt | |
| burnt, roasted, meaty | |
| General comment | At 0.10 % in propylene glycol. burnt roasted meaty |
| Flavor Type: Nutty | |
| sweet, hazelnut roasted hazelnut, almond, marzipan | |
| General comment | Sweet dried hazelnut almond marzipan |
| Used in Roasted Nut, Chocolate and possibly Meat flavors. Normal use levels in finished consumer product: 0.02-2 ppm. | Roasted |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Chocolate |
| Flavoring purposes | Coffee , Dairy , Meat , Nut , Roasted , Savory |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 260 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 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 | ||
| 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: 11 | |||
| Click here to view publication 11 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | 1.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.60000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 1.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 1.00000 | |
| milk products: | - | 0.60000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 1.50000 | |
| soups: | - | 1.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
| Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 224 (FGE.224): Consideration of genotoxic potential for two a,ß-unsaturated thiophenes from subgroup 5.2 of FGE.19 by EFSA View page or View pdf |
| Scientific Opinion on re-evaluation of one flavouring substance 3-acetyl-2,5-dimethylthiophene [FL-no 15.024] from FGE.19 subgroup 5.2 View page or View pdf |
| Scientific Opinion on the safety and efficacy of thiazoles, thiophene, thiazoline and thienyl derivatives (chemical group 29): 3-acetyl-2,5-dimethylthiophene when used as a flavouring for all animal species View page or View pdf |
| 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 :520191 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1-(2,5-dimethylthiophen-3-yl)ethanone |
| Chemidplus:0002530101 |
| RTECS:OB2888000 for cas# 2530-10-1 |