3,5-cocoa pyrazine
2-ethyl-3,5-dimethylpyrazine
Identification
| Name | 3,5-cocoa pyrazine |
| IUPAC | 2-ethyl-3,5-dimethylpyrazine |
| CAS Number | 13925-07-0 |
| EINECS | 237-694-1 |
| FDA UNII | R182EY5L8C |
| Molecular Formula | C8 H12 N2 |
| Molecular Weight | 136.19764000 |
| Nikkaji Number | J113.400K |
| Beilstein | 0636984 |
| CoE Number | 727 |
| XlogP3 | 1.50 (est) |
Regulatory
| JECFA Food Flavoring | 776 2-ethyl-3,5-dimethylpyrazine |
| DG SANTE Food Flavourings | 14.024 2-ethyl-3,5-dimethylpyrazine |
| FEMA Number | 3150 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 13925-07-0 ; 3-ETHYL-2,6-DIMETHYLPYRAZINE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Boiling Point | 180.00 to 182.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.814000 mmHg @ 25.00 °C. (est) |
| Flash Point | 156.00 °F. TCC ( 68.89 °C. ) |
| logP (o/w) | 1.457 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 0.10 % in dipropylene glycol. Peanut, nutty, caramel, coffee, musty, cocoa, pyrazine and roasted
|
| Taste Description | at 2.00 ppm. |
Safety Information
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M,F] 504 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 3,5-cocoa pyrazine usage levels up to | 0.1000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.20 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.30 (μg/capita/day) |
| Structure Class | II |
| baked goods | - |
| beverages(nonalcoholic) | - |
| 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 | - |
| 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 | - |
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