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Cetalkoniumchlorid
CETALKONIUM CHLORIDE · HDBAC · BENZYLCETYLDIMETHYLAMMONIUM CHLORIDE · BENZYLHEXADECYLDIMETHYLAMMONIUM CHLORIDE · CKC · acinol · cetalkonium · CETYLDIMETHYLBENZYLAMMONIUM CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 122-18-9 |
|---|---|
| Summenformel | C25H46ClN |
| Durchschnittliche Molmasse | 396,1 g/mol |
| Monoisotopische Masse | 395,3318782 g/mol |
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] |
| InChIKey | SXPWTBGAZSPLHA-UHFFFAOYSA-M |
| PubChem CID | 31202 |
| ChEMBL | CHEMBL1644450 |
| EC No. | 204-526-3 |
| Lokaler Name | Cetalkoniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 17 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 291 |
| Physical Description | Solid[Merck Index] White powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 55-65 °C(lit.) |
| Siedepunkt | 550.14°C (rough estimate) |
| Dichte | 0.9089 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | room temp |
| Löslichkeit | DMSO: 100 mg/mL (252.47 mM)MODERATELY SOLUBLE |
| Aggregatzustand | Powder |
| Farbe | White to creamy-white |
| Merck | 14,2017 |
| BRN | 3802341 |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIMICROBIALANTISTATICPRESERVATIVE |
| InChI | 1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H31H/q+1/p-1 |
| InChIKey | SXPWTBGAZSPLHA-UHFFFAOYSA-M |
| SMILES | [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 |
| LogP (Verteilungskoeffizient) | 3.022 at 25℃ |
| CAS Datenbank | 122-18-9(CAS DataBase Reference) |
| EPA chemische Informationen | Benzyl hexadecyl dimethyl ammonium chloride (122-18-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (77%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (96%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (18.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H400 (96.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (17.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 126 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Chemical: Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chlorideHazard Traits - Hazard Trait UndefinedAuthoritative List - CECBP - Priority ChemicalsReport - if used as a fragrance or flavor ingredientStatus: Active Update: 04-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23672Cetalkonium chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | Evaluation - Benzalkonium halides |
| Gefahrenübersicht | A mild to moderate eye irritantOral lethal-dose (rat) >500 mg/kg[RTECS] Quaternary ammonium compounds are corrosive in concentrated solutions and may cause skin sensitization from repeated occupational exposure[Reference #1] Causes burnsToxic by ingestion and skin absorption[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (98.4%)Acute Tox. 4 (77%)Skin Corr. 1A (96%)Eye Dam. 1 (18.3%)Aquatic Acute 1 (96.8%)Aquatic Chronic 1 (17.5%)Acute toxicity (ingestion) - category 4Acute toxicity (dermal) - category 4Acute toxicity (inhalation) - category 2Skin corrosion - category 1BHazardous to the aquatic environment (Acute) - Category 1Hazardous to the aquatic environment (Long-term) - Category 1Skin corrosion/irritation - Category 1Serious eye damage/eye irritation - Category 1 |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| F | 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29239000 |
| RTECS-Nr. | BO6822450 |
| R-Sätze (R) | 36/37/38-50/53-50-34-21/22 |
| Toxizität | eye-rbt 150 mg MLD ARZNAD 9,349,59 |
| Gefahrensymbole | Xi,N,C |
| Sicherheitshinweise (S) | 61-45-36/37/39-26-60 |
| Gefahrenklasse | 8Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Benzyldimethylhexadecylammonium chloride is used in leather processing, textile dyeing. A mildew preventive in silicone-based water repellents. Compatible with many nonionic detergents. Active in moderately alkaline solutions.