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Trimethyloctadecylammoniumchlorid
1831 · Steartrimonium chloride · STAC · OTAC · STEARYLTRIMETHYLAMMONIUM CHLORIDE · OCTADECYLTRIMETHYLAMMONIUM CHLORIDE · TRIMETHYLOCTADECYLAMMONIUM CHLORIDE · Octadecy trimethyl ammonium chloride
Identifikatoren & physikalische Daten
| CAS No. | 112-03-8 |
|---|---|
| Summenformel | C21H46N.Cl |
| Durchschnittliche Molmasse | 348 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-] |
| InChIKey | VBIIFPGSPJYLRR-UHFFFAOYSA-M |
| PubChem CID | 8155 |
| ChEMBL | CHEMBL118745 |
| ChEBI | CHEBI:81710 |
| EC No. | 203-929-1 |
| DTXSID | DTXSID1026902 |
| Lokaler Name | Trimethyloctadecylammoniumchlorid |
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 |
| Kosmetika | Cosmetic ingredients (Steartrimonium Chloride) -> CIR (Cosmetic Ingredient Review)PreservativeHair conditioning |
| Physical Description | CBILarge Crystals |
| Siedepunkt | 249℃[at 101 325 Pa] |
| Dichte | 0.91[at 20℃] |
| Dampfdruck | 0Pa at 25℃ |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White |
| pH | 5.5-8.5 (20℃, 0.05% in H2O) |
| Löslichkeit | Soluble in water 1.759 mg/L @ 25°C. |
| BRN | 3917847 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | PRESERVATIVEHAIR CONDITIONINGANTISTATIC |
| InChI | 1S/C21H46N.ClH/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 | VBIIFPGSPJYLRR-UHFFFAOYSA-M |
| SMILES | [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C |
| LogP (Verteilungskoeffizient) | 3.61 at 25℃ |
| CAS Datenbank | 112-03-8(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Octadecanaminium, N,N,N-trimethyl-, chloride (112-03-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.7% (10 of 268) of reports.DangerH302 (88.1%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P262, 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, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 268 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Octadecanaminium, N,N,N-trimethyl-, chloride1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 21-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10127Octadecyltrimethylammonium 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 | IMAP assessments - Cationic surfactants: Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (88.1%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4 |
| Gesundheitliche Auswirkungen | Quaternium-10 may react to produce nitrosamines, which are believed to be carcinogenic. (L1890) |
| Expositionspfade | Oral (A2880)inhalation (A2880)dermal (L1889) |
| 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 Chloride...Safe for use in cosmetics, with qualificationsWhile quaternium-10 itself is not toxic, it is a nitrosating agent. Nitrosating agents may decompose and/or react to cause nitrosamine contamination. Nitrosamines are produced from secondary amines and amides in the presence of nitrite ions and are believed to be carcinogenic. Once in the body, nitrosamines are activated by cytochrome P-450 enzymes. They are then believed to induce their carcinogenic effects by forming DNA adducts at the N- and O-atoms. (L1889, L1890, A2878, A2879, A2880) |
| Carcinogen Classification | Not listed by IARC. Certain nitrosamines are classified by IARC as either probably or possibly carcinogenic to humans (Groups 2A and 2B, respectively). (L135) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN1759 |
| Zollcode | 29239000 |
| RTECS-Nr. | BT1750000 |
| R-Sätze (R) | 20/21/22-36/37/38-21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39-37/39-36/37 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1C |
| Lagerklasse | 8B - Non-combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Emulsion (main components are high polymeric and cyclic silicones); forms a protective film to coat split ends; conditioning agent for rinses and shampoos; glazing agent for hair.