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2,3-Diethylpyrazin
FEMA 3136 · 2,3-Diethyl · shoyu pyrazine · FEMA NUMBER 3136 · 2,3-diethyl-pyrazin · 2,3-DIETHYLPYRAZINE · DIETHYLPYRAZINE,2,3- · 2.3-Diethyl pryazine
Identifikatoren & physikalische Daten
| CAS No. | 15707-24-1 |
|---|---|
| Summenformel | C8H12N2 |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,10004838 g/mol |
| SMILES | CCc1nccnc1CC |
| InChIKey | GZXXANJCCWGCSV-UHFFFAOYSA-N |
| PubChem CID | 27458 |
| ChEMBL | CHEMBL327303 |
| ChEBI | CHEBI:166525 |
| EC No. | 239-800-1 |
| DTXSID | DTXSID6047101 |
| Lokaler Name | 2,3-Diethylpyrazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 81,3 |
| Duftstoffe | Fragrance Ingredient (2,3-Diethylpyrazine) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 1.51 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.956-0.9760.963 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | soluble in water, soluble in oils, organic solventsmiscible at room temperature (in ethanol) |
| Siedepunkt | 180.00 to 182.00 °C. @ 760.00 mm Hg180 °C180-182 °C (lit.) |
| Brechungsindex | 1.492-1.509n20/D 1.5(lit.) |
| Physical Description | colourless to slightly yellow liquid with an earthy, nutty, baked potato odour |
| FEMA | 3136 | 2,3-DIETHYLPYRAZINE |
| Flammpunkt | 159 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 2.16±0.10(Predicted) |
| Farbe | Colorless to Light yellow |
| Wichte | 0.963 |
| Geruch | at 0.10 % in dipropylene glycol. raw nutty green pepper |
| Geruchsart | nutty |
| Biologische Quelle | synthetic |
| JECFA Number | 771 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | GZXXANJCCWGCSV-UHFFFAOYSA-N |
| SMILES | CCc1nccnc1CC |
| LogP (Verteilungskoeffizient) | 1.70 |
| CAS Datenbank | 15707-24-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2,3-Diethylpyrazine(15707-24-1) |
| EPA chemische Informationen | Pyrazine, 2,3-diethyl- (15707-24-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.2%): 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 1599 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Pyrazine, 2,3-diethyl-Regulation (EC) No 1831/2003 (amended)Pyrazine, 2,3-diethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Pyrazine, 2,3-diethyl-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (97.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3334 |
| Zollcode | 29339900 |
| R-Sätze (R) | 37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Occurrence
Reported found in baked potato, mushrooms, cocoa, roasted filberts, malt and shoyu (fermented soya hydrolysate).
Verwenden
2,3-Diethylpyrazine is used in method for preparing coffee extracts for cigarette using aroma backfilling agents.
Herstellung & Synthese
synthetische
By condensation of 3,4-hexanedione with ethylenediamine