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2,4,5-Trimethyloxazol
Oxazole, trimethyl- · 2,4,5-Trimethyl-1,3-oxazole · TRIMETHYLOXAZOLE · trimethyl-oxazol · triMethyl-1,3-oxazole · 2,3,5-TRIMETHYLOXAZOLE · 2,3,4-TRIMETHYLOXAZOLE · 2,4,5-Trimethyloxazole
Identifikatoren & physikalische Daten
| CAS No. | 20662-84-4 |
|---|---|
| Summenformel | C6H9NO |
| Durchschnittliche Molmasse | 111,14 g/mol |
| Monoisotopische Masse | 111,06841391 g/mol |
| SMILES | Cc1nc(C)c(C)o1 |
| InChIKey | ZRLDBDZSLLGDOX-UHFFFAOYSA-N |
| PubChem CID | 30215 |
| ChEBI | CHEBI:179309 |
| EC No. | 243-952-4 |
| DTXSID | DTXSID0022274 |
| Lokaler Name | 2,4,5-Trimethyloxazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 84 |
| Dichte | 0.956-0.9640.957 g/mL at 25 °C(lit.) |
| Löslichkeit | Insoluble in waterSoluble (in ethanol) |
| Siedepunkt | 133.00 to 134.00 °C. @ 760.00 mm Hg134 °C133-134 °C(lit.) |
| Brechungsindex | 1.438-1.446n20/D 1.442(lit.) |
| Physical Description | Yellowish liquidBoiled beef aroma |
| Kovats Retention Index | 829828826830843822823827824848852850853846851863857847855856.6838.8118811931197122411901215120012061209117912041214 |
| FEMA | 4394 | TRIMETHYLOXAZOLE |
| Flammpunkt | 92 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 3.73±0.10(Predicted) |
| Farbe | Clear yellow |
| Geruch | at 100.00 %. nutty nut skin roasted wasabi shellfish mustard vegetable |
| Geruchsart | nutty |
| Biologische Quelle | synthetic |
| JECFA Number | 1553 |
| BRN | 107043 |
| InChI | 1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3 |
| InChIKey | ZRLDBDZSLLGDOX-UHFFFAOYSA-N |
| SMILES | Cc1nc(C)c(C)o1 |
| LogP (Verteilungskoeffizient) | 1.09 |
| CAS Datenbank | 20662-84-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (71.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (74.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (74.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 163 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Oxazole, trimethyl-Regulation (EC) No 1831/2003 (amended)Oxazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Oxazole, trimethyl-: Environment tier I assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Irrit. 2 (71.8%)Eye Irrit. 2 (74.2%)STOT SE 3 (74.2%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 10 |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) |
Anwendungen & Verwendung
Occurrence
Reported found in heated beef, cocoa, coffee and cooked pork.