2,6-Dimethylpyrazin
Pyrazine, 2,6-dimethyl- · 2,6-Dimethylpiazine · FEMA 3273 · FEMA NUMBER 3273 · 6-DiMethylpyrazine · 3,5-Dimethylpyrazine · 2,6-DIMETHYLPYRAZINE · 2,6-dimethyl-pyrazin
Identifikatoren & physikalische Daten
| CAS No. | 108-50-9 |
|---|---|
| Summenformel | C6H8N2 |
| Durchschnittliche Molmasse | 108,14 g/mol |
| Monoisotopische Masse | 108,06874826 g/mol |
| SMILES | Cc1cncc(C)n1 |
| InChIKey | HJFZAYHYIWGLNL-UHFFFAOYSA-N |
| PubChem CID | 7938 |
| ChEBI | CHEBI:89791 |
| EC No. | 203-589-4 |
| DTXSID | DTXSID5047619 |
| Lokaler Name | 2,6-Dimethylpyrazin |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 64,9 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Duftstoffe | Fragrance Ingredient (2,6-Dimethylpyrazine) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 0.54 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | soluble in water, organic solventsvery soluble (in ethanol)Chloroform, Methanol (Slightly)Soluble in water. |
| Siedepunkt | 154.00 to 155.00 °C. @ 760.00 mm Hg154 °C154 °C(lit.) |
| Schmelzpunkt | 47 - 48 °C35-40 °C(lit.) |
| Physical Description | Solidwhite to yellow lumpy crystals with a nutty, coffee-like odour |
| Dichte | 0.965(50.0000℃) |
| FEMA | 3273 | 2,6-DIMETHYLPYRAZINE |
| Brechungsindex | 1.5000 |
| Flammpunkt | 127 °F |
| Lagerbedingungen | -20°C |
| pKa (Säurekonstante) | 2.49±0.10(Predicted) |
| Aggregatzustand | Low Melting Crystalline Solid |
| Farbe | Pale yellow |
| pH | 7 (H2O, 20℃) |
| Geruch | at 10.00 % in dipropylene glycol. ethereal cocoa nutty roasted roasted meaty beefy brown coffee buttermilk |
| Geruchsart | chocolate |
| Biologische Quelle | synthetic |
| JECFA Number | 767 |
| BRN | 1726 |
| Henry-Konstante | 9.8×10-1 mol/(m3Pa) at 25℃, Chaintreau et al. (1995) |
| Dielektrizitätskonstante | 2.6499999999999999 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3 |
| InChIKey | HJFZAYHYIWGLNL-UHFFFAOYSA-N |
| SMILES | Cc1cncc(C)n1 |
| LogP (Verteilungskoeffizient) | 0.64 |
| CAS Datenbank | 108-50-9(CAS DataBase Reference) |
| NIST chemische Informationen | Pyrazine, 2,6-dimethyl-(108-50-9) |
| EPA chemische Informationen | Pyrazine, 2,6-dimethyl- (108-50-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (94.7%): 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 1686 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pyrazine, 2,6-dimethyl-Regulation (EC) No 1831/2003 (amended)2,6-Dimethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (94.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29339990 |
| RTECS-Nr. | UQ2975000 |
| R-Sätze (R) | 10-22-37/38-41-11 |
| Gefahrensymbole | Xn,F |
| Sicherheitshinweise (S) | 16-26-39 |
| Gefahrenklasse | 4.1Acute Tox. 4 OralEye Dam. 1Flam. Sol. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Occurrence
Reported found in cocoa products, coffee, diary products, peanuts, pecans, filberts, potato products, rum, whiskey, soy products, tomato puree, baked potato, cooked beef and chicken, mushroom, roasted barley, roasted pecan, tea, and Virginia tobacco; reported found in grilled beef; also a volatile flavor component of potato chips. Also reported found in cheeses, tamarind, coriander seed and corn tortilla
Verwenden
2,6-Dimethylpyrazine is used Preparation of chocolate, coffee, meat and nuts and other flavors
Herstellung & Synthese
synthetische
By condensation of 1,2-diaminopropane, followed by column chromatography to separate the 2,6-methylpyrazine from the 2,5-dimethylpyrazine.