西曲溴铵

Description

cetrimide · CAS 8044-71-1 · C19H42N.Br. UNII L64N7M9BWR.

Identification

CAS Registry Number	8044-71-1
PubChem CID	5974
Molecular formula	C19H42N.Br
IUPAC name	hexadecyl(trimethyl)azanium bromide
UNII (FDA)	L64N7M9BWR

Computed Descriptors

Molecular Weight	364.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	15
Exact Mass	363.25006
Monoisotopic Mass	363.25006
Topological Polar Surface Area	0
Heavy Atom Count	21
Formal Charge	0
Complexity	181

Physical description & handling notes

• Dry Powder
• White powder; [MSDSonline]
• 197.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Regulatory Status

Regulatory & Food Contact	FDA Cumulative Estimated Daily Intake (CEDI): FCS 1-?HEXADECANAMINIUM, N,?N,?N-?TRIMETHYL-?, BROMIDE (1:1) CIR / INCI: Cosmetics ingredient -> Conditioning/Emollient; Emulsifier; Fragrance; Preservative/Stabilizer CIR / INCI: Cosmetic ingredients (Cetrimonium Bromide) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Preservative
GHS notification summary	0.6% (5 / 823)

GHS Hazard Classification

GHS notification summary	0.6% (5 / 823)
Reported hazard statements	H302 (97%), H315 (45.6%), H318 (91.7%), H335 (38.9%), H373 (34.9%), H400 (95%), H410 (26.1%), H319

Documented 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.
• Cosmetics product ingredient: Cetrimonium bromide
• Reason for Listing: Priority Chemical that is identified under the California Environmental Contaminant Biomonitoring Program.

Synonyms

57-09-0; Cetrimonium bromide; Cetyltrimethylammonium bromide; Hexadecyltrimethylammonium bromide; Bromat; CETAB; Centimide; Ctmab; Acetoquat CTAB; Cee dee; Cetyl trimethyl ammonium bromide; Trimethylcetylammonium bromide; Bromuro de cetrimonio; N-Cetyltrimethylammonium bromide; Bromure de cetrimonium; Cetrimonii bromidum

Frequently Asked Questions

What are the CAS number and molecular formula of cetrimide?

CAS 8044-71-1; molecular formula C19H42N.Br; molecular weight — g/mol.

What other names is cetrimide known by?

57-09-0, Cetrimonium bromide, Cetyltrimethylammonium bromide, Hexadecyltrimethylammonium bromide, Bromat, CETAB.

What is the regulatory status of cetrimide?

Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS; 1-?HEXADECANAMINIUM, N,?N,?N-?TRIMETHYL-?, BROMIDE (1:1); CIR / INCI: Cosmetics ingredient -> Conditioning/Emollient; Emulsifier; Fragrance; Preservative/Stabilizer.

Is cetrimide classified as hazardous?

0.6% of GHS notifications report no hazard classification (5 of 823).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.