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2-Methoxy-3-methylpyrazin
FEMA 3183 · 2-Methoxy-3-methyl pyrazine · METHYL METHOXY PYRAZINE · Pyrazine, 2-methoxy-3-methyl- · METHOXYMETHYLPYRAZINE · 2-METHOXY-3(5/6)-METHYL PYRAZINE · FEMA NUMBER 3183 · 2-Methoxy-3-Methylpy
Identifikatoren & physikalische Daten
| CAS No. | 2847-30-5 |
|---|---|
| Summenformel | C6H8N2O |
| Durchschnittliche Molmasse | 124,14 g/mol |
| Monoisotopische Masse | 124,06366288 g/mol |
| SMILES | COc1nccnc1C |
| InChIKey | VKJIAEQRKBQLLA-UHFFFAOYSA-N |
| PubChem CID | 17898 |
| ChEMBL | CHEMBL329881 |
| ChEBI | CHEBI:180378 |
| EC No. | 220-651-6 |
| DTXSID | DTXSID80863034 |
| Lokaler Name | 2-Methoxy-3-methylpyrazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| Duftstoffe | Fragrance Ingredient (2-Methoxy-3-methylpyrazine) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 1.24 |
| Aromastoffe | EU Flavoring substances |
| Physical Description | Liquid |
| Siedepunkt | 48-52°C 10mm |
| Dichte | 1.06 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.507(lit.) |
| FEMA | 3183 | 2,5 OR 6-METHOXY-3-METHYLPYRAZINE (MIXTURE OF ISOMERS) |
| Flammpunkt | 132 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 1.01±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Geruch | at 0.10 % in dipropylene glycol. nutty roasted hazelnut barly |
| Geruchsart | nutty |
| Biologische Quelle | synthetic |
| JECFA Number | 788 |
| BRN | 878809 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3 |
| InChIKey | VKJIAEQRKBQLLA-UHFFFAOYSA-N |
| SMILES | COc1nccnc1C |
| LogP (Verteilungskoeffizient) | 1.21 |
| CAS Datenbank | 2847-30-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Methoxy-3-methyl pyrazine(2847-30-5) |
| EPA chemische Informationen | Pyrazine, 2-methoxy-3-methyl- (2847-30-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1636 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Pyrazine, 2-methoxy-3-methyl-Chemical: Pyrazine, 2-methoxy-3(or 5)-methyl-Regulation (EC) No 1831/2003 (amended)Pyrazine, 2-methoxy-3(or 5)-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyrazine, 2-methoxy-3(or 5)-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Pyrazine, 2-methoxy-3-methyl-: Does not have an individual approval but may be used under an appropriate group standardPyrazine, 2-methoxy-3(or 5)-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Pyrazine, 2-methoxy-3-methyl-: Environment tier I assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (98.6%)Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-37/38-41-10 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39-16 |
| Gefahrenklasse | 3 |
Anwendungen & Verwendung
Occurrence
Reported found in sherry and krill.
Herstellung & Synthese
synthetische
From 2-methylpyrazine by various routes.