HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl(methylthio)pyrazin
FEMA 3208 · somer mixture · methyl(methylthio)-pyrazin · Pyrazine, methyl(methylthio)- · 2-Methylthio-3,5-methylpyrazine · 2-Methylthio-3(6)-methyl-pyrazine · 3,5-Dimethyl-2-(methylthio)pyrazine · 2-Methyl-3(or5or6)-methylthiopyrazine
Identifikatoren & physikalische Daten
| CAS No. | 2882-20-4 |
|---|---|
| Summenformel | C6H8N2S |
| Durchschnittliche Molmasse | 140,21 g/mol |
| Monoisotopische Masse | 140,04081926 g/mol |
| SMILES | CSc1nccnc1C |
| InChIKey | PPPFFGVGWFKTHX-UHFFFAOYSA-N |
| PubChem CID | 76152 |
| ChEMBL | CHEMBL97593 |
| ChEBI | CHEBI:178124 |
| EC No. | 220-736-8 |
| DTXSID | DTXSID70863048 |
| Lokaler Name | Methyl(methylthio)pyrazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| Duftstoffe | Fragrance Ingredient (Pyrazine, 2-methyl-3-(methylthio)-) -> IFRA transparency ListFragrance Ingredient (Pyrazine, methyl (methylthio)-) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 1.81 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Dichte | 1.145 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.583(lit.) |
| FEMA | 3208 | (METHYLTHIO)METHYLPYRAZINE (MIXTURE OF ISOMERS) |
| Flammpunkt | 193 °F |
| Geruch | at 0.10 % in dipropylene glycol. nutty earthy peanut musty coffee vegetable |
| Geruchsart | nutty |
| Biologische Quelle | synthetic |
| JECFA Number | 797 |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/2C6H8N2S/c1-5-3-8-6(9-2)4-7-51-5-6(9-2)8-4-3-7-5/h2*3-4H,1-2H3 |
| InChIKey | WVLCKAWPCLTOOS-UHFFFAOYSA-N |
| SMILES | CSc1cnc(C)cn1.CSc2nccnc2C |
| LogP (Verteilungskoeffizient) | 0.06 |
| CAS Datenbank | 67952-65-2(CAS DataBase Reference) |
| EPA chemische Informationen | Pyrazine, methyl(methylthio)- (67952-65-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 15.1% (237 of 1565) of reports.WarningH226 (82.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1565 reports by companies from 6 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 97.5% (1522 of 1561) of all reports. |
|---|---|
| Regulatorische Informationen | Chemical: Pyrazine, 2-methyl-3-(methylthio)-Chemical: Pyrazine, methyl(methylthio)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyrazine, 2-methyl-3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standardPyrazine, methyl(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Pyrazine, 2-methyl-3-(methylthio)-: Environment tier I assessment |
| Hazard Classes and Categories | Not ClassifiedFlam. Liq. 3 (82.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers) is like roasted almonds, hazelnuts. This may be prepared from 2-methylchloropyrazine; a mixture of 2-methyl-3-methylthiopyrazine, 2-methyl-5-methylthiopyrazine, and 2-methyl-6-methylthiopyrazine is obtained.
Herstellung & Synthese
synthetische
From 2-methylchloropyrazine; a mixture of 2-methyl-3-methylthiopyrazine, 2-methyl-5-methylthiopyrazine, and 2-methyl-6-methylthiopyrazine is obtained.