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| IUPAC name : | 2-methyl-3-methylsulfanylpyrazine |
| InChI : | InChI=1/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3 |
| InChIKey : | PPPFFGVGWFKTHX-UHFFFAOYAP |
| SMILES : | CC1=NC=CN=C1SC |
| cas number : | 2882-20-4 |
| (EINECS) number : | 220-736-8 |
| fema number : | 3208 |
| coe number : | 2290 |
| fl. number : | 14.128 |
| molar refractivity : | 39.61 ± 0.4 cm3 |
| parachor : | 325.4 ± 6.0 cm3 |
| index of refraction : | 1.562 ± 0.03 |
| surface tension : | 50.4 ± 5.0 dyne/cm |
| density : | 1.14 ± 0.1 g/cm3 |
| polarizability : | 15.70 ± 0.5 10-24cm3 |
| XlogP : | 1.10 |
| molecular weight : | 140.2061200 (IUPAC) |
| formula : | C6 H8 N2 S |
| BioActivity Analysis : | 130930 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Fleurchem : | 2-methyl 3-methyl thio pyrazine
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| Penta : | 2-methylthio-3-methyl pyrazine
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| Sigma-Aldrich-Aldrich : | 2-Methyl-3-(methylthio)pyrazine
80% If you get a cover box over Sigma-aldrich web page, click here to set your country of origin. |
| Tokyo Chemical Industry : | 2-Methylmercapto-3-methylpyrazine
>99.0%(GC) [for Perfumery] |
organoleptics :
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| odor type : | meaty |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description: at 0.10 % in propylene glycol. | roasted meat nutty almond vegetable |
properties :
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| assay : | 99.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.13300 to 1.15300 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.428 to 9.594
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| refractive index : | 1.57000 to 1.59000 @ 20.00 °C.
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| boiling point : | 85.00 to 87.00 °C. @ 10.00 mm Hg
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| boiling point : | 213.00 to 214.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.06800 mm/Hg @ 25.00 °C. |
| flash point : | 210.00 °F. TCC ( 98.89 °C. )
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| logP (o/w) : | 1.81 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
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| recommendation for 2-methyl-3-(methyl thio) pyrazine fragrance usage levels up to : |
| | 0.0200 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 2-methyl-3-methylsulfanylpyrazine |
| (EINECS) number : | 220-736-8 |
| chemidplus : | 002882204 |
| EPA Substance Registry Services : | 2882-20-4 |
| dtp/nci : | 222757 |
references :
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| | 2-methyl-3-methylsulfanylpyrazine |
| fl. number : | 14.128 |
| NIST Chemistry WebBook : | 2323509234 |
| pubchem : | 218365 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |