HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Isopropenyl pyrazine
Pyrazine, (1-methylethenyl)- · ISOPROPENYLPYRAZINE · FEMA 3296 · 2-ISOPROPENYLPYRAZINE · 1-Methylethenylpyrazine · 2-prop-1-en-2-ylpyrazine · 2-ISOPROPENYL-1,4-DIAZINE · (1-Methylene-ethyl)pyrazine
Identifikatoren & physikalische Daten
| CAS No. | 38713-41-6 |
|---|---|
| Summenformel | C7H8N2 |
| Durchschnittliche Molmasse | 120,15 g/mol |
| Monoisotopische Masse | 120,06874826 g/mol |
| SMILES | C=C(C)c1cnccn1 |
| InChIKey | JMKUTMOIKCXELD-UHFFFAOYSA-N |
| PubChem CID | 62897 |
| ChEBI | CHEBI:193692 |
| EC No. | 662-720-7 |
| DTXSID | DTXSID2068135 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 109 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.964-0.9680.987±0.06 g/cm3(Predicted) |
| Löslichkeit | Practically insoluble to insoluble in waterSoluble (in ethanol) |
| Brechungsindex | 1.480-1.486 |
| Physical Description | Colourless to pale orange liquidCaramel like nutty roasted aroma |
| Siedepunkt | 173.5±20.0 °C(Predicted) |
| FEMA | 3296 | ISOPROPENYLPYRAZINE |
| pKa (Säurekonstante) | 0.54±0.10(Predicted) |
| Geruch | at 0.10 % in dipropylene glycol. caramellic chocolate nutty roasted |
| Geruchsart | caramellic |
| JECFA Number | 2125 |
| LogP (Verteilungskoeffizient) | 1.14 |
| EPA chemische Informationen | Pyrazine, (1-methylethenyl)- (38713-41-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Pyrazine, (1-methylethenyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyrazine, (1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Beschreibung
Synthesized by alkylation of the Mannich base obtained by reacting formaldehyde and dimethylamine with ethylpyrazine, followed by the Hoffmann degradation.
Occurrence
Reported found in fried chicken, cocoa, roasted peanuts, peanut butter, oat groats, toasted sesame seeds and malt
Herstellung & Synthese
synthetische
By alkylation of the Mannich base obtained by reacting formaldehyde and dimethylamine with ethylpyrazine, followed by the Hoffmann degradation