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3-Ethyl-2,5-dimethylpyrazin
Pyrazine, 3-ethyl-2,5-dimethyl- · 2-Ethyl-3,6-dimethylpyrazine · 2,5-DIMETHYL-3-ETHYLPYRAZINE · FEMA 3149 · 2,6-DIMETHYL-3-ETHYLPYRAZINE · 3-ethyl-2,5-dimethyl-Pyrazine · 3-Ethyl-2,5-Methylpyrazine · 3,6-Dimethyl-2-ethylpyrazine
Identifikatoren & physikalische Daten
| CAS No. | 13360-65-1 |
|---|---|
| Summenformel | C8H12N2 |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,10004839 g/mol |
| SMILES | CCc1nc(C)cnc1C |
| InChIKey | WHMWOHBXYIZFPF-UHFFFAOYSA-N |
| PubChem CID | 25916 |
| ChEMBL | CHEMBL95123 |
| ChEBI | CHEBI:199156 |
| EC No. | 236-417-1 |
| DTXSID | DTXSID1065423 |
| Lokaler Name | 3-Ethyl-2,5-dimethylpyrazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 103 |
| Duftstoffe | Fragrance Ingredient (3-Ethyl-2,5-dimethylpyrazine) -> IFRA transparency List |
| Aromastoffe | EU Flavoring substances |
| Siedepunkt | 180-181 °C(lit.) |
| Dichte | 0.965 g/mL at 25 °C(lit.) |
| FEMA | 3149 | 2-ETHYL-3,(5 OR 6)-DIMETHYLPYRAZINE |
| Brechungsindex | n20/D 1.5015(lit.) |
| Flammpunkt | 157 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| pKa (Säurekonstante) | 2.61±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Geruch | roasted odor, reminiscent of nuts |
| Geruchsart | nutty |
| JECFA Number | 775 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 2.07 |
| EPA chemische Informationen | Pyrazine, 3-ethyl-2,5-dimethyl- (13360-65-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1017 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Pyrazine, 3-ethyl-2,5-dimethyl-Chemical: Pyrazine, 2-ethyl-3,?-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyrazine, 3-ethyl-2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standardPyrazine, 2-ethyl-3,?-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - Pyrazine, 2-ethyl-3,?-dimethyl-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26 |
Anwendungen & Verwendung
Verwenden
2-Ethyl-3,6-dimethylpyrazine is a flavour-active and non-volatile compound identified in thermally treated yeast extracts. It is also useful in the synthesis of new flavour additive species of pyrazines.