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3,5(6)-cocoa pyrazine
General Material Information
| Preferred name | 3,5(6)-cocoa pyrazine |
| Trivial Name | 2-Ethyl-3,?-dimethylpyrazine |
| Short Description | ethyl-(3,5 or 6)-methoxypyrazine (85%) and 2-methyl-(3,5 or 6)-methoxypyrazine (13%) |
| Formula | C16 H24 N4 |
| CAS Number | 55031-15-7 |
| Deleted CAS Number | 55031-15-7 |
| FEMA Number | 3149 |
| Flavis Number | 14.1 |
| FDA UNII | 1D80F4PE6E |
| MDL | MFCD00047392 |
| COE Number | 727 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 789 ethyl-(3,5 or 6)-methoxypyrazine (85%) and 2-methyl-(3,5 or 6)-methoxypyrazine (13%) |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 27043-05-6 ; 2-ETHYL-3,(5 OR 6)-DIMETHYLPYRAZINE |
| 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 |
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): | Search |
| FooDB: | FDB009405 |
| Export Tariff Code: | 2933.99.9700 |
| VCF-Online: | VCF Volatile Compounds in Food |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 272.39529418945 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Melting Point | 64 to 66°C @ 8 mm Hg |
| Boiling Point | 180 to 182°C @ 760 mm Hg |
| Vapor Density | 4.6 |
| Flash Point TCC Value | 69.44 °C TCC |
| Solubility | |
| water | Yes |
| Stability | |
| stable in most media | Unspecified |
Organoleptic Properties
| Odor Type: Nutty | |
| nutty, nut skin, hazelnut, peanut, chocolate, roasted, brown, sweet, musty, peanut roasted peanut | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 5 hour(s) at 100.00 % |
| Luebke, William tgsc, (2009) | At 1.00 % in dipropylene glycol. nutty nut skin hazelnut peanut chocolate roasted |
| Mosciano, Gerard P&F 17, No. 3, 57, (1992) | Nut skin, brown, sweet, musty, with a slightly roasted peanut shell nuance |
| Flavor Type: Nutty | |
| peanut, nut skin, brown, hazelnut roasted hazelnut, coffee, chocolate | |
| Mosciano, Gerard P&F 17, No. 3, 57, (1992) | At 5.00 ppm. Peanut, nut skin, brown, roasted, hazelnut, with coffee and chocolate nuances |
| General comment | Peanut nut skin brown roasted hazelnut coffee chocolate |
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 |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. 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: | |
| gavage-rat LD50 456 mg/kg (Moran et al., 1980) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for 3,5(6)-cocoa pyrazine usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 38.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 9.00 (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: 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): |
| 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 |
| Safety and efficacy of pyrazine derivatives including saturated ones belonging to chemical group 24 when used as flavourings for all animal species View page or View pdf |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):55031-15-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :16220104 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-ethyl-3,5-dimethylpyrazine; 3-ethyl-2,5-dimethylpyrazine |
| Chemidplus:0027043056 |