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Trimethyloctadecylammoniumbromid
OCTADECYLTRIMETHYLAMMONIUM BROMIDE · 183B · OctMAB · [M3C18N]Br · FENTACARE 1831B · Einecs 214-294-5 · Stearyl Trimethyl Am · Steartrimonium bromide
Identifikatoren & physikalische Daten
| CAS No. | 1120-02-1 |
|---|---|
| Summenformel | C21H46BrN |
| Durchschnittliche Molmasse | 392,5 g/mol |
| Monoisotopische Masse | 391,28136 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] |
| InChIKey | SZEMGTQCPRNXEG-UHFFFAOYSA-M |
| PubChem CID | 70708 |
| ChEMBL | CHEMBL109458 |
| EC No. | 214-294-5 |
| DTXSID | DTXSID40883652 |
| Lokaler Name | Trimethyloctadecylammoniumbromid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 17 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 204 |
| Stoffklassen | Nitrogen Compounds -> Quaternary Amines |
| Kosmetika | Cosmetic ingredients (Steartrimonium Bromide) -> CIR (Cosmetic Ingredient Review)PreservativeAntistaticHair conditioning |
| Physical Description | White hygroscopic powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | ~250 °C (dec.) (lit.) |
| Siedepunkt | 543.31℃[at 101 325 Pa] |
| Dampfdruck | 0Pa at 25℃ |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Limited solubilitysoluble |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 3574090 |
| Stabilität | Stable. Hygroscopic. Incompatible with strong oxidizing agents. Protect from moisture. |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR CONDITIONINGPRESERVATIVEANTISTATIC |
| InChI | InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H31H/q+1/p-1 |
| InChIKey | SZEMGTQCPRNXEG-UHFFFAOYSA-M |
| SMILES | C(CC[N+](C)(C)C)CCCCCCCCCCCCCCC.[Br-] |
| LogP (Verteilungskoeffizient) | 3.06 at 25℃ |
| CAS Datenbank | 1120-02-1(CAS DataBase Reference) |
| EPA chemische Informationen | Trimethyl-1-octylammonium bromide (1120-02-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Trimethyloctadecylammonium bromide (EC: 214-294-5) |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (13%) |
| Toxizitätsübersicht | The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Steartrimonium Bromide...Safe for use in cosmetics, with qualifications |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 29239000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
A Dynamin I inhibitor.