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2-Ethyl-4,5-dimethyloxazol
FEMA 3672 · 2-ethyl-4,5-dimethyl-oxazol · 4,5-DIMETHYL-2-ETHYLOXAZOLE · 2-ETHYL 4,5-DIMETHYL OXAZOLE · Oxazole, 2-ethyl-4,5-dimethyl- · 2-Ethyl-4,5-dimethyl-1,3-oxazole
Identifikatoren & physikalische Daten
| CAS No. | 53833-30-0 |
|---|---|
| Summenformel | C7H11NO |
| Durchschnittliche Molmasse | 125,17 g/mol |
| Monoisotopische Masse | 125,08406397 g/mol |
| SMILES | CCc1nc(C)c(C)o1 |
| InChIKey | LCYOFVYHDBWYSI-UHFFFAOYSA-N |
| PubChem CID | 62069 |
| ChEBI | CHEBI:177638 |
| EC No. | 258-815-4 |
| DTXSID | DTXSID3068885 |
| Lokaler Name | 2-Ethyl-4,5-dimethyloxazol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.474-1.4800.956 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Insoluble in waterSlightly soluble in oilsSoluble (in ethanol) |
| Siedepunkt | 60.00 °C. @ 18.00 mm Hg137 °C (732 mm Hg)166℃ |
| Brechungsindex | 1.454-1.4601.5110 |
| Physical Description | Colourless liquidBurnt roasted aroma |
| FEMA | 3672 | 2-ETHYL-4,5-DIMETHYLOXAZOLE |
| Flammpunkt | 58℃ |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 3.85±0.12(Predicted) |
| Aggregatzustand | solid |
| Geruch | at 1.00 % in propylene glycol. green creamy vegetable earthy |
| Geruchsart | green |
| JECFA Number | 1555 |
| InChI | 1S/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3 |
| InChIKey | LCYOFVYHDBWYSI-UHFFFAOYSA-N |
| SMILES | CCc1nc(C)c(C)o1 |
| LogP (Verteilungskoeffizient) | 1.62 |
| EPA chemische Informationen | Oxazole, 2-ethyl-4,5-dimethyl- (53833-30-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1377 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Oxazole, 2-ethyl-4,5-dimethyl-Oxazole, 2-ethyl-4,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (> 99.9%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36 |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
Anwendungen & Verwendung
Occurrence
Reported found in roasted coffee and French fried potato.