Hexadecyltrimethylammonium Bromide

HCID 5974CAS 57-09-0
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Grundinformationen

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
200-311-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
15
Schwere Atome
21

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Quaternary Amines
Cosmetics · 3 Einträge

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 · 2 Einträge

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.
30 °C · Store below +30°C.
Löslichkeit
2 O: · H2O: 50 mg/mL

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 6 Einträge

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 · 1 Eintrag

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]

Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (97%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

1.2 [mg/m3]

14 [mg/m3]

81 [mg/m3]

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity Summary · 2 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...Cetrimonium Bromide...

Safe for use in cosmetics, with qualifications

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Sicherheitsdaten

F
3
wgk
3
tsca
TSCA listed
ridadr
UN 3077 9/PG 3
hs_code
29239000
RTECS-Nr.
BQ7875000

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 · 4 Einträge

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 · 2 Einträge

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 · 2 Einträge

Printing Ink Manufacturing

1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE

Anwendungen

Verwendenantiinfectant

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: The organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide.

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