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3,5-Diethyl-2-methylpyrazine
Pyrazine, 3,5-diethyl-2-methyl- · 3,5-DIETHYL-2-METHYLPYRAZINE · 2-Methyl-3,5-diethylpyrazine · 2,6-Diethyl-5-methylpyrazine · 2-methyl-3,5-diethylpyrazine USP/EP/BP · Pyrazine, 3,5-diethyl-2-methyl- (8CI,9CI) · diethylmethylpyrazine,3,5-diethyl-2-methylpyrazine
Identifikatoren & physikalische Daten
| CAS No. | 18138-05-1 |
|---|---|
| Summenformel | C9H14N2 |
| Durchschnittliche Molmasse | 150,22 g/mol |
| Monoisotopische Masse | 150,11569846 g/mol |
| SMILES | CCc1cnc(C)c(CC)n1 |
| InChIKey | MRWLZECVHMHMGI-UHFFFAOYSA-N |
| PubChem CID | 28906 |
| ChEBI | CHEBI:193680 |
| EC No. | 639-034-1 |
| DTXSID | DTXSID70171130 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 114 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.944-0.9540.952±0.06 g/cm3(Predicted) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | slightlyslightly soluble in watersoluble in oils, organic solventsmiscible at room temperature (in ethanol) |
| Siedepunkt | 95.00 °C. @ 14.00 mm Hg95 °C (14 mm Hg)205.7±35.0 °C(Predicted) |
| Brechungsindex | 1.492-1.502 |
| Physical Description | colourless to slightly yellow liquid with a nutty, meaty, vegetable odour |
| FEMA | 3916 | 3,5-DIETHYL-2-METHYLPYRAZINE |
| pKa (Säurekonstante) | 2.52±0.10(Predicted) |
| Geruch | at 0.10 % in dipropylene glycol. nutty meaty vegetable |
| Geruchsart | nutty |
| JECFA Number | 779 |
| LogP (Verteilungskoeffizient) | 2.16 |
| CAS Datenbank | 18138-05-1 |
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 90 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyrazine, 3,5-diethyl-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Occurrence
Reported found in potato, chicken, beef, pork (0.1 to 0.5 ppm), cocoa (2.1 ppm), coffee, tea, peanut, coconut (1 ppm), corn, shrimp (0.002 ppm).