N-Cetyl-N,N,N-trimethylammonium-bromid
Hexadecyltrimethylammonium Bromide
Grundinformationen
- CAS
57-09-0- Standard-SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
CXRFDZFCGOPDTD-UHFFFAOYSA-M- Summenformel
- C19H42N.Br
- Durchschnittliche Molmasse
- 364,4 g/mol
Überblick
Cetyltrimethylammonium bromide is the organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide. It has a role as a detergent and a surfactant. It is a quaternary ammonium salt and an organic bromide salt. It contains a cetyltrimethylammonium ion.
Namen und Bezeichner
- Bevorzugter Name
- Hexadecyltrimethylammonium Bromide
- IUPAC
- hexadecyl(trimethyl)azanium bromide
- Lokaler Name
- N-Cetyl-N,N,N-trimethylammonium-bromid
- Englischer Name
- Hexadecyl trimethyl ammonium bromide
- Summenformel
- C19H42BrN
- Molmasse
- 364.45
Namen und Synonyme
57-09-0Cetrimonium bromideCetyltrimethylammonium bromideHexadecyltrimethylammonium bromideBromatCETABCentimideCtmabAcetoquat CTABCee deeCetyl trimethyl ammonium bromideTrimethylcetylammonium bromide
Weitere Namen anzeigen
CTABHTABCTABRCTMBcetarol
Bromuro de cetrimonioN-Cetyltrimethylammonium bromideBromure de cetrimoniumCetrimonii bromidumTrimethylhexadecylammonium bromideCetrimonio bromuroN-HEXADECYLTRIMETHYLAMMONIUM BROMIDEPalmityltrimethyl ammonium bromide
Datenbank-Bezeichner
- CAS
57-09-0、8044-71-1- PubChem CID
- 5974
- DTXSID
DTXSID5037028- ChEMBL
CHEMBL307346- ChEBI
CHEBI:3567- UNII
- L64N7M9BWR
- EC Number
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 181
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Cosmetics
Cosmetics ingredient -> Conditioning/Emollient; Emulsifier; Fragrance; Preservative/Stabilizer
Cosmetic ingredients (Cetrimonium Bromide) -> CIR (Cosmetic Ingredient Review)
Preservative
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description
Dry Powder
White powder; [MSDSonline]
Collision Cross Section197.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 248 · 248-251 °C(lit.)
- Dichte
- 1.1107 · 1.1107 (rough estimate)
- Brechungsindex
- 1.526 · 1.5260 (estimate)
- Flammpunkt
- 244 °C · 244 °C
- storage temp.
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
This chemical does not meet GHS hazard criteria for 0.6% (5 of 823) of reports.
Danger
H302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 823 reports by companies from 38 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Gefahrenhinweise
Regulatory Information
Chemical: 1-Hexadecanaminium, N,N,N-trimethyl-, bromide
Hazard Traits - Hazard Trait Undefined
Regulation (EC) No 1935/2004 (amended)
1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (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: 30-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10369
Cetrimonium bromide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cationic surfactants: Human health tier II assessment
Hazards Summary
Corrosive to skin and eyes; May cause skin sensitization; [eChemPortal: ERMA] Allergic contact dermatitis is infrequently documented; [Marks, p. 266] Quaternary ammonium compounds have curare-like properties when concentrated solutions are ingested; Affected patients may have methemoglobinemia and hemolysis and die within 1-3 hours; Elevated liver function tests were reported; Concentrated solutions can cause burns; No data on carcinogenicity or teratogenicity; [IPCS-PIMs]
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
Verwendung und Herstellung
Uses
CIR ingredient: Cetrimonium Bromide
Quarternary ammonium compounds are used as algaecides/slimicides (swimming pools, industrial water reservoirs, and farm ponds), antiseptcis for cleaning wounds, antistatic agents for textiles, softeners for paper products, and pigment dispersers; [IPCS-PIMs]
Using Disinfectants or Biocides [Category: Clean]
Cetyl-Trimethyl-Ammonium, Cetrimonium, cetyl trimethylammonium, or hexadecyltrimethylammonium is a quaternary ammonium cation whose bromide and chloride salts are used as antiseptics.
U.S. Production2023: 4,409 lb
Industry UsesOther
Household Products
Cosmetics product ingredient: Cetrimonium bromide
Information on 9 consumer products that contain Cetrimonium bromide in the following categories is provided:
Use ClassificationCosmetics -> Preservative
General Manufacturing Information
Printing Ink Manufacturing
1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE
Anwendungen
Verwendenantiinfectant
Vor- und nachgelagerte Produkte
Zugehörige Reaktionen
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