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Trimethyloctadecylammoniumchlorid

Stearyltrimethylammonium chloride

HCID 8155
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Grundinformationen

CAS
112-03-8
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

112-03-8Trimethylstearylammonium chlorideStacCation ABAliquat 7Stearyltrimethylammonium chlorideNissan cation ABQuaternium-10Arquad 18Stearyl trimethyl ammonium chlorideArquad 18-50Monostearyl trimethyl ammonium chloride
Weitere Namen anzeigen
1831Steartrimonium chlorideOTACOctadecy trimethyl ammonium chlorideTC-8
N,N,N-Trimethyl-1-octadecanaminium chlorideCZ70647U92trimethyl(octadecyl)azanium chlorideRefChem:871332N,N,N-trimethyloctadecan-1-aminium chlorideTrimethyloctadecylammonium chlorideOCTADECYLTRIMETHYLAMMONIUM CHLORIDE1-Octadecanaminium, N,N,N-trimethyl-, chloride

Datenbank-Bezeichner

CAS
112-03-8
PubChem CID
8155
DTXSID
DTXSID1026902
ChEMBL
CHEMBL118745
ChEBI
CHEBI:81710
UNII

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

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 · 2 Einträge

Cosmetic ingredients (Steartrimonium Chloride) -> CIR (Cosmetic Ingredient Review)

Preservative; Hair conditioning

Physical DescriptionCBI; Large Crystals

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.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 4 Einträge

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.

Other Safety InformationIMAP assessments - Cationic surfactants: Human health tier II assessment
Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (88.1%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Toxikologische Informationen

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesNitrosamines can enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. (A2878, A2879)

Verwendung und Herstellung

Uses · 2 Einträge

CIR ingredient: Steartrimonium Chloride

Quaternium-10 is a quaternary ammonium salt found in numerous cosmetics. (L1890)

U.S. Production2023: <75,000 lb
Household ProductsInformation on 43 consumer products that contain Steartrimonium chloride in the following categories is provided:
Use ClassificationCosmetics -> Preservative; Hair conditioning
General Manufacturing Information1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1): ACTIVE

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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

DimantinMethylamin, gasförmig1-OctadecanolAmmoniumchlorid

Zugehörige Reaktionen

12
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 5288
HRID 5288als Eduktuspto-grants-1993_09
Reaktionsgleichung von HRID 358312
HRID 358312als Katalysatoruspto-grants-1984_08
Reaktionsgleichung von HRID 703191
HRID 703191als Eduktuspto-grants-1991_01
Reaktionsgleichung von HRID 1078052
HRID 1078052als Eduktuspto-grants-1996_08
Reaktionsgleichung von HRID 1078053
HRID 1078053als Eduktuspto-grants-1996_08
Reaktionsgleichung von HRID 1089379
HRID 1089379als Eduktuspto-grants-1990_10
Reaktionsgleichung von HRID 1199832
HRID 1199832als Eduktuspto-grants-1990_02
Reaktionsgleichung von HRID 1758776
HRID 1758776als Eduktuspto-grants-1983_02
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Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
CZ70647U92
EC Number
203-929-1
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)
Health EffectsQuaternium-10 may react to produce nitrosamines, which are believed to be carcinogenic. (L1890)
Exposure RoutesOral (A2880) ; inhalation (A2880) ; dermal (L1889)
Toxicity Summary · 3 Einträge

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)

Carcinogen ClassificationNot listed by IARC. Certain nitrosamines are classified by IARC as either probably or possibly carcinogenic to humans (Groups 2A and 2B, respectively). (L135)

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
Natriumhydroxid
Chlormethan

Nachgelagerte Produkte

coconutaminium trimethyl chloridebeanaminium trimethyl chloride