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2-acetyl-3-methyl pyrazine
General Material Information
| Preferred name | 2-acetyl-3-methyl pyrazine |
| Trivial Name | 2-Acetyl-3-methylpyrazine |
| Short Description | 2-acetyl-3-methylpyrazine |
| Formula | C7 H8 N2 O |
| CAS Number | 23787-80-6 |
| FEMA Number | 3964 |
| Flavis Number | 14.082 |
| ECHA Number | 245-889-8 |
| FDA UNII | 7U5TEW2Y2B |
| Nikkaji Number | J364.475H |
| MDL | MFCD00014612 |
| COE Number | 11296 |
| xLogP3-AA | 0.20 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 950 2-acetyl-3-methylpyrazine |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 23787-80-6 ; 2-ACETYL-3-METHYLPYRAZINE |
| 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-(3-methylpyrazin-2-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 23787-80-6 |
| Pubchem (cid): | 32093 |
| Pubchem (sid): | 134994225 |
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): | HMDB30001 |
| FooDB: | FDB001290 |
| Export Tariff Code: | 2933.99.8290 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 136.15396118164 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.27 to 9.303 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.195 to 9.27 |
| Refractive Index | 1.52 to 1.524 @ 20 °C |
| Refractive Index | 1.521 to 1.523 @ 20 °C |
| Boiling Point | 265 to 266°C @ 760 mm Hg |
| Vapor Pressure | 0.105 mmHg @ 25 °C |
| Flash Point TCC Value | 80 °C TCC |
| logP (o/w) | -0.484 est |
| Solubility | |
| alcohol | Yes |
| water, 6.241e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| stable in most media | Unspecified |
Organoleptic Properties
| Odor Type: Nutty | |
| nutty, nut flesh, hazelnut roasted hazelnut, grain toasted grain, corn chip, vegetable, nut skin, caramellic | |
| Odor strength | high , recommend smelling in a 0.10 % solution or less |
| Substantivity | 25 hour(s) at 100.00 % |
| Luebke, William tgsc, (2017) | At 0.10 % in dipropylene glycol. nutty nut flesh roasted hazelnut toasted grain corn chip vegetable nut skin caramellic |
| Flavor Type: Nutty | |
| nutty, nut flesh, hazelnut roasted hazelnut, grain toasted grain, potato chip, potato baked potato, nut skin, vegetable | |
| Luebke, William tgsc, (2017) | Nutty nut flesh roasted hazelnut toasted grain potato chip baked potato nut skin vegetable |
| Used in soups and sauces at 20ppm, confectionery at 5ppm, meat products at 2ppm, snack foods at 0.25ppm, and desserts at 0.1ppm. | Nutty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Coffee , Filbert , Hazelnut , Peanut , Popcorn |
| Flavoring purposes | Caramel , Cereal , Chocolate cocoa , Grain , Meat , Nut roasted nut , Sesame , Shellfish , Walnut |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 2-acetyl-3-methyl pyrazine usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.10 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (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: 20 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.30000 | 4.30000 | |
| beverages(nonalcoholic): | 0.30000 | 0.60000 | |
| beverages(alcoholic): | 0.30000 | 3.00000 | |
| breakfast cereal: | 0.10000 | 2.00000 | |
| cheese: | - | - | |
| chewing gum: | 0.80000 | 8.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.30000 | 3.00000 | |
| egg products: | 0.30000 | 3.00000 | |
| fats / oils: | 0.30000 | 3.00000 | |
| fish products: | 0.10000 | 3.00000 | |
| frozen dairy: | 1.00000 | 5.00000 | |
| fruit ices: | 0.20000 | 2.00000 | |
| gelatins / puddings: | 0.20000 | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | 0.30000 | 3.00000 | |
| hard candy: | 0.50000 | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.10000 | 1.00000 | |
| jams / jellies: | 0.50000 | 5.00000 | |
| meat products: | 1.30000 | 5.00000 | |
| milk products: | 0.30000 | 3.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.50000 | 5.00000 | |
| snack foods: | 0.50000 | 5.00000 | |
| soft candy: | 1.00000 | 4.00000 | |
| soups: | 1.00000 | 2.50000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 17 (FGE.17): Pyrazine derivatives from chemical group 24 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 50 (FGE.50): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17 (2005) (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 |
| Flavouring Group Evaluation 17, Revision 1 (FGE.17Rev1): Pyrazine derivatives from chemical group 24 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) [1] View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 17, Revision 2 (FGE.17Rev2): Pyrazine derivatives from chemical group 24 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 50, Revision 1 (FGE.50Rev1): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17Rev2 (2010) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):23787-80-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :32093 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1-(3-methylpyrazin-2-yl)ethanone |
| Chemidplus:0023787806 |