2-mercaptomethyl pyrazine
2-(mercaptomethyl)pyrazine
Identification
| Name | 2-mercaptomethyl pyrazine |
| IUPAC | pyrazin-2-ylmethanethiol |
| CAS Number | 59021-02-2 |
| FDA UNII | CUV3XV379F |
| Molecular Formula | C5 H6 N2 S |
| Molecular Weight | 126.18182000 |
| Nikkaji Number | J429.384C |
| Beilstein | 0878425 |
| CoE Number | 11502 |
Regulatory
| JECFA Food Flavoring | 794 2-(mercaptomethyl)pyrazine |
| DG SANTE Food Flavourings | 14.053 2-mercaptomethylpyrazine |
| FEMA Number | 3299 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 59021-02-2 ; 2-MERCAPTOMETHYLPYRAZINE |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.13400 @ 25.00 °C. |
| Refractive Index | 1.57800 @ 20.00 °C. |
| Boiling Point | 44.00 to 45.00 °C. @ 0.07 mm Hg, 94.00 °C. @ 10.00 mm Hg |
| Vapor Pressure | 0.134000 mmHg @ 25.00 °C. (est) |
| Flash Point | 140.00 °F. TCC ( 60.00 °C. ) |
| logP (o/w) | 0.633 (est) |
| Soluble in | alcohol |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
| Taste Description | roasted meat-like |
Safety Information
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M,F] 2100 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 | flavoring agents |
| Recommendation for 2-mercaptomethyl pyrazine usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.01 (μg/capita/day) |
| Structure Class | III |
| 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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