Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]- InChIKey
VBIIFPGSPJYLRR-UHFFFAOYSA-M- Summenformel
- C21H46N.Cl
- Durchschnittliche Molmasse
- 348 g/mol
Überblick
Stearyltrimethylammonium chloride is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- Stearyltrimethylammonium chloride
- IUPAC
- trimethyl(octadecyl)azanium chloride
- Lokaler Name
- Trimethyloctadecylammoniumchlorid
- Englischer Name
- Trimethylstearylammonium Chloride
- Summenformel
- C21H46ClN
- Molmasse
- 348.06
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
112-03-8- PubChem CID
- 8155
- DTXSID
DTXSID1026902- ChEMBL
CHEMBL118745- ChEBI
CHEBI:81710- UNII
- CZ70647U92
- EC Number
- 203-929-1
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 204
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Steartrimonium Chloride) -> CIR (Cosmetic Ingredient Review)
Preservative; Hair conditioning
Physikochemische Eigenschaften
- Siedepunkt
- 249 ℃[at · 249℃[at 101 325 Pa]
- Dichte
- 0.91 · 0.91[at 20℃]
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White
- PH
- 5.5 · 5.5-8.5 (20℃, 0.05% in H2O)
- Wasserlöslichkeit
- 1.759 mg/L · Soluble in water 1.759 mg/L @ 25°C.
- BRN
- 3917847 · 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;/h5-21H2,1-4H3;1H/q+1;/p-1
- InChIKey
- VBIIFPGSPJYLRR-UHFFFAOYSA-M
- SMILES
- [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C
- LogP
- 3.61 at · 3.61 at 25℃
- CAS Datenbank
- 112 · 112-03-8(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Octadecanaminium, N,N,N-trimethyl-, chloride (112-03-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 3.7% (10 of 268) of reports.
Danger
H302 (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.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: 1-Octadecanaminium, N,N,N-trimethyl-, chloride
1-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/10127
Octadecyltrimethylammonium 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.
Hazard Classes and Categories
Acute Tox. 4 (88.1%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
Toxikologische Informationen
Toxicity Summary
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 qualifications
While 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)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN1759
- hs_code
- 29239000
- RTECS-Nr.
- BT1750000
- risk_code
- 20/21/22-36/37/38-21/22
- hazard_code
- Xn
- safety_code
- 26-36/37/39-37/39-36/37
- hazard_class
- 8
- Speicherklasse
- 8B - Non-combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1C
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Uses
CIR ingredient: Steartrimonium Chloride
Quaternium-10 is a quaternary ammonium salt found in numerous cosmetics. (L1890)
Anwendungen
VerwendenEmulsion (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.
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