HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4,5-Trimethyl-3-oxazoline
FEMA 3525 · peanut oxazole · UNII:KHQ1Z14L8P · 2,4,5-TRIMETHYLOXAZOLINE · Trimethyloxazolinecistrans · 2,4,5-trimethyl-3-oxazolin · 2,4,5-Trimethyl-3-oxazoline · 3-Oxazoline, 2,4,5-trimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 22694-96-8 |
|---|---|
| Summenformel | C6H11NO |
| Durchschnittliche Molmasse | 113,16 g/mol |
| Monoisotopische Masse | 113,08406397 g/mol |
| SMILES | CC1=NC(C)OC1C |
| InChIKey | YFSGRMONVCFYTC-UHFFFAOYSA-N |
| PubChem CID | 31492 |
| ChEMBL | CHEMBL3188899 |
| ChEBI | CHEBI:173328 |
| EC No. | 607-131-8 |
| DTXSID | DTXSID8047133 |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 120 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.913-0.9200,919 g/cm3 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | slightlySoluble in water, propylene glycolinsoluble in most fixed oilsSoluble (in ethanol)Soluble in alcohol, fixed oils. Insoluble in water. |
| Siedepunkt | 125.00 to 127.00 °C. @ 760.00 mm Hg96-97 °C45-47°C 12mm |
| Brechungsindex | 1.413-1.421 |
| Physical Description | Yellow orange liquidPowerful, musty, slight green, wood, nut aroma |
| FEMA | 3525 | 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE |
| Flammpunkt | 45-47°C/12mm |
| pKa (Säurekonstante) | 6.27±0.60(Predicted) |
| Aggregatzustand | liquid |
| Geruch | at 0.10 % in dipropylene glycol. musty nutty vegetable cocoa nut skin bread crust phenolic woody |
| Geruchsart | musty |
| JECFA Number | 1559 |
| InChI | 1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3 |
| InChIKey | YFSGRMONVCFYTC-UHFFFAOYSA-N |
| SMILES | CC1OC(C)C(C)=N1 |
| LogP (Verteilungskoeffizient) | 1.72 |
| CAS Datenbank | 22694-96-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1445 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Oxazole, 2,5-dihydro-2,4,5-trimethyl-Oxazole, 2,5-dihydro-2,4,5-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (97.3%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 1993 |
| R-Sätze (R) | 11-36/37/38-10 |
| Toxizität | mouse,LD50,oral,4840mg/kg (4840mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 3/7-9-16-29-33-37/60-26 |
| Gefahrenklasse | 3Aquatic Chronic 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported found in boiled, cooked and heated beef, canned beef stew, fried chicken and roasted peanut.
Verwenden
2,4,5-Trimethyl-3-oxazoline, cis + trans possesses the characteristic meat aroma hences used for flavoring application. Used as flavour enhancer in fish