2-isopropyl-3-(methyl thio) pyrazine
2-isopropyl-3-methylthiopyrazine
Identification
| Name | 2-isopropyl-3-(methyl thio) pyrazine |
| IUPAC | 2-methylsulfanyl-3-propan-2-ylpyrazine |
| CAS Number | 67952-59-4 |
| EINECS | 267-913-6 |
| FDA UNII | W9ZVH61E78 |
| Molecular Formula | C8 H12 N2 S |
| Molecular Weight | 168.26264000 |
| Nikkaji Number | J317.288K |
| CoE Number | 11342 |
| XlogP3 | 2.60 (est) |
Regulatory
| DG SANTE Food Flavourings | 14.122 2-isopropyl-3-methylthiopyrazine |
Physical Properties
| Appearance | pale yellow solid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 108.00 °C. @ 760.00 mm Hg |
| Boiling Point | 317.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.043000 mmHg @ 25.00 °C. (est) |
| Flash Point | 216.00 °F. TCC ( 102.22 °C. ) |
| logP (o/w) | 2.419 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | stable in most media |
Organoleptic Properties
| Odor Description | at 0.01 % in propylene glycol. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| 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-isopropyl-3-(methyl thio) pyrazine usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.061 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 270 (μg/person/day) |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| Dairy products, excluding products of category 02.0 (01.0) | 0.40000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.10000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.40000 |
| Processed fruit (04.1) | 0.40000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 1.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.20000 |
| Bakery wares (07.0) | 1.00000 |
| Meat and meat products, including poultry and game (08.0) | 0.10000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.10000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.10000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.20000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.20000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 1.00000 |
| Ready-to-eat savouries (15.0) | 1.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.20000 |
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Potential Uses
Natural Occurrence
Synonyms
2-(1-
methyl ethyl)-3-(methyl thio) pyrazine
2-(
methyl thio)-3-isopropyl pyrazine
2-(1-
methylethyl)-3-(methylthio)pyrazine
2-
methylsulfanyl-3-propan-2-ylpyrazine
2-(
methylsulfanyl)-3-(propan-2-yl)pyrazine
2-
methylthio-3-isopropyl pyrazine
2-
methylthio-3-isopropylpyrazine
2-iso
methylthio-3-isopropylpyrazine
2-(
methylthio)-3-isopropyl pyrazine
2-iso
propyl-3-(methylsulfanyl)pyrazine
2-iso
propyl-3-(methylthio)pyrazine
2-iso
propyl-3-methyl thiopyrazine
2-iso
propyl-3-methylsulfanyl-pyrazine
2-iso
propyl-3-methylthiopyrazine
pyrazine, 2-(1-methylethyl)-3-(methylthio)-
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