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3,6-cocoa pyrazine
General Material Information
| Preferred name | 3,6-cocoa pyrazine |
| Trivial Name | 3-Ethyl-2,5-dimethylpyrazine |
| Short Description | 2,5-dimethyl-3-ethylpyrazine |
| Formula | C8 H12 N2 |
| CAS Number | 13360-65-1 |
| FEMA Number | 3149 |
| Flavis Number | 14.111 |
| ECHA Number | 236-417-1 |
| FDA UNII | G2FB13VLOG |
| Nikkaji Number | J121.829H |
| COE Number | 727 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 775 2,5-dimethyl-3-ethylpyrazine |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| 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
| 3-ethyl-2,5-dimethylpyrazine | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 13360-65-1 |
| Pubchem (cid): | 25916 |
| Pubchem (sid): | 134989111 |
| Flavornet: | 13360-65-1 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Certain 2,5-dimethyl-3-thiopyrazines | |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32276 |
| FooDB: | FDB020022 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 136.19764709473 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.604 to 8.662 |
| Refractive Index | 1.493 to 1.497 @ 20 °C |
| Vapor Pressure | 1.212 mmHg @ 25 °C |
| Flash Point TCC Value | 69.44 °C TCC |
| logP (o/w) | 2.07 |
| Solubility | |
| alcohol | Yes |
| water, 1473 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Nutty | |
| potato, cocoa, roasted, nutty | |
| General comment | At 0.01 % in propylene glycol. potato cocoa roasted nutty |
| Flavor Type: Nutty | |
| hazelnut, nutty | |
| General comment | Hazelnut |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Woody |
| Flavoring purposes | Almond , Burnt , Caramel , Chocolate cocoa , Coffee , Hazelnut , Meat , Peanut , Popcorn , Potato , Roasted , Rum , Walnut , Whiskey |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 3,6-cocoa pyrazine usage levels up to: | |||
| 0.0100 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.10 (μg/capita/day) | ||
| Threshold of Concern: | 540 (μg/person/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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 5.00000 | |
| beverages(nonalcoholic): | - | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 2.00000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 2.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | 2.00000 | |
| hard candy: | - | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 2.00000 | |
| milk products: | - | 1.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| 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): |
| Scientific Opinion on Flavouring Group Evaluation 17, Revision 3 (FGE.17Rev3): Pyrazine derivatives from chemical group 24 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):13360-65-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :25916 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-ethyl-2,5-dimethylpyrazine |
| Chemidplus:0013360651 |