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tert-Butyloxiran
2-tert-Butyloxirane · tert-Butyloxirane · Nsc356829 · NISTC2245309 · tert-Butylethylene oxide · 3,3-Dimethylbutene oxide · 1,1-Dimethylethyl-oxirane · 3,3-Dimethyl-2-epoxybutane
Identifikatoren & physikalische Daten
| CAS No. | 2245-30-9 |
|---|---|
| Summenformel | C6H12O |
| Durchschnittliche Molmasse | 100,16 g/mol |
| Monoisotopische Masse | 100,088815 g/mol |
| SMILES | CC(C)(C)C1CO1 |
| InChIKey | HEAYDCIZOFDHRM-UHFFFAOYSA-N |
| PubChem CID | 92174 |
| EC No. | 218-831-4 |
| DTXSID | DTXSID001020954 |
| Lokaler Name | tert-Butyloxiran |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 70,7 |
| Siedepunkt | 95-96°C |
| Dichte | 0,822 g/cm3 |
| Brechungsindex | 1.4010 |
| Flammpunkt | -1°C |
| Aggregatzustand | liquid |
| Farbe | Colourless |
| BRN | 102478 |
| InChI | InChI=1S/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3 |
| InChIKey | HEAYDCIZOFDHRM-UHFFFAOYSA-N |
| SMILES | O1CC1C(C)(C)C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (85.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Oxirane, (1,1-dimethylethyl)- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Flam. Liq. 2 (85.7%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 2910900090 |
| R-Sätze (R) | 11-36/37/38-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 16-23-33-36 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Irrit. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
3,3-Dimethyl-1,2-epoxybutane is a hydrocarbon organic compound that can be synthesised by the high-temperature reaction of isopropyl chloride with excess styrene in organic solvents and purified by distillation and recrystallisation.3,3-Dimethyl-1,2-epoxybutane reacts with alkyl halides to form a homologous series of epoxides. It also reacts stereoselectively with aldehydes and ketones.
Verwenden
3,3-Dimethyl-1,2-epoxybutane is used as pharm and intermediates.