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Dimethyloctadecyl(3-sulfopropyl)ammoniumhydroxid
3-(N,N-Dimethyloctadecylammonio)propanesulfonate · SB-18 · SB3-18 · MGC138332 · RALUFON (R) DS · DKFZp686L19178 · Sulfobetaine 18 · Einecs 236-124-9
Identifikatoren & physikalische Daten
| CAS No. | 13177-41-8 |
|---|---|
| Summenformel | C23H49NO3S |
| Durchschnittliche Molmasse | 419,7 g/mol |
| Monoisotopische Masse | 419,3433156 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
| InChIKey | DIROHOMJLWMERM-UHFFFAOYSA-N |
| PubChem CID | 83205 |
| EC No. | 236-124-9 |
| DTXSID | DTXSID101015437 |
| Lokaler Name | Dimethyloctadecyl(3-sulfopropyl)ammoniumhydroxid |
Chemische & physikalische Eigenschaften
| XLogP | 8,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 20 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 416 |
| Stoffklassen | Nitrogen Compounds -> Quaternary Amines |
| Physical Description | Beige hygroscopic powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 257-260 °C (dec.) (lit.) |
| Flammpunkt | 110 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | solid |
| Farbe | white |
| BRN | 4152035 |
| InChI | 1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3 |
| InChIKey | DIROHOMJLWMERM-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCC[N](C)(C)CCCS(O)(=O)=O |
| CAS Datenbank | 13177-41-8(CAS DataBase Reference) |
| EPA chemische Informationen | N-Octadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (13177-41-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner saltREACH registered substance: Dimethyloctadecyl(3-sulphopropyl)ammonium hydroxide (EC: 236-124-9) |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2923.90.0100 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-(N,N-Dimethyloctadecylammonio)propanesulfonate in combination with bis(2-ethylhexyl) sulfosuccinate sodium salt (AOT) forms an organic mixed micellar phase, which may be used for the extraction of erythromycin from the aqueous phase. The extraction performance and other parameters affecting erythromycin solubilization are evaluated.