HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,5-Dihydro-2,4,4-trimethyloxazol
Trimethyloxazoline · 2,4,4-trimethyl oxazoline · 2,4,4-Trimethyl-2-oxazole · 2,4,4-Trimethyl-2-oxazoline · 2,4,4-trimethyl-5H-1,3-oxazole · 2,4,4-TRIMETHYL-2-OXAZOLINE 99% · 2,4,4-Trimethyl-2-oxazoline,99% · 2-Methyl-4,4-dimethyl-2-oxazoline
Identifikatoren & physikalische Daten
| CAS No. | 1772-43-6 |
|---|---|
| Summenformel | C6H11NO |
| Durchschnittliche Molmasse | 113,16 g/mol |
| Monoisotopische Masse | 113,08406397 g/mol |
| SMILES | CC1=NC(C)(C)CO1 |
| InChIKey | HZRZMHNRCSIQFT-UHFFFAOYSA-N |
| PubChem CID | 74496 |
| EC No. | 217-201-6 |
| DTXSID | DTXSID10170268 |
| Lokaler Name | 4,5-Dihydro-2,4,4-trimethyloxazol |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 126 |
| Schmelzpunkt | 113.5°C |
| Siedepunkt | 112-113 °C(lit.) |
| Dichte | 0.887 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4213(lit.) |
| Flammpunkt | 55 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| pKa (Säurekonstante) | 5.90±0.70(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 107665 |
| InChI | 1S/C6H11NO/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3 |
| InChIKey | HZRZMHNRCSIQFT-UHFFFAOYSA-N |
| SMILES | CC1=NC(C)(C)CO1 |
| CAS Datenbank | 1772-43-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger 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 45 reports by companies from 2 notifications to the ECHA C&L Inventory.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 | 2,4,4-Trimethyl-2-oxazoline: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 2934999090 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) | 16-29-33 |
| Gefahrenklasse | 3Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,4,4-Trimethyl-2-oxazoline was used in the synthesis of 2,2-dimethyloxazolines of C2-elongated fatty acids.
Herstellung & Synthese
synthetische
2,4,4-Trimethyl-2-oxazoline can be prepared by the thermal condensation (98-110 °C) of acetic acid and 2-amino-2-methyl-1-propanol in 73% yield (eq 1).