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Substance Name: Cetrimonium bromide [INN:BAN:NF]
RN: 57-09-0
UNII: L64N7M9BWR
InChIKey: LZZYPRNAOMGNLH-UHFFFAOYSA-M

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Germicide, Bactericide, Disinfectant
  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C19-H42-N.Br

Molecular Weight

  • 364.4518
 
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Names and Synonyms

Name of Substance

  • 1-Hexadecanaminium, N,N,N-trimethyl-, bromide
  • Cetab
  • Cetrimonium bromide
  • Cetrimonium bromide [INN:BAN:NF]
  • Cetyl trimethyl ammonium bromide
  • N,N,N-Trimethyl-1-hexadecanaminium bromide

Synonyms

  • (1-Hexadecyl)trimethylammonium bromide
  • 1-Hexadecanaminium, N,N,N-trimethyl-, bromide
  • Acetoquat CTAB
  • AI3-12209
  • Bromat
  • Bromat (VAN)
  • Bromure de cetrimonium
  • Bromure de cetrimonium [INN-French]
  • Bromuro de cetrimonio
  • Bromuro de cetrimonio [INN-Spanish]
  • Caswell No. 167
  • Cee dee
  • Centimide
  • Cetab
  • Cetaflon
  • Cetarol
  • Cetavlon
  • Cetavlon bromide
  • Cetrimide
  • Cetrimide bp
  • Cetrimonii bromidum
  • Cetrimonii bromidum [INN-Latin]
  • Cetrimonio bromuro
  • Cetrimonio bromuro [DCIT]
  • Cetrimonium bromide
  • Cetyl trimethyl ammonium bromide
  • Cetyltrimethylammonium bromide
  • Cirrasol OD
  • Cirrasol-OD
  • CTAB
  • Ctmab
  • Cycloton V
  • EC 200-311-3
  • EINECS 200-311-3
  • EPA Pesticide Chemical Code 069117
  • Hexadecyl trimethyl ammonium bromide
  • Hexadecyltrimethylammonium bromide
  • Lauroseptol
  • Lissolamin V
  • Lissolamine
  • Lissolamine A
  • Lissolamine V (VAN)
  • Mical
  • Micol
  • Micol (VAN)
  • N,N,N-Trimethyl-1-hexadecanaminium bromide
  • N,N,N-Trimethylcetylammonium bromide
  • N-Cetyltrimethylammonium bromide
  • N-Hexadecyl-N,N,N-trimethylammonium bromide
  • n-Hexadecyltrimethylammonium bromide
  • NSC 32927
  • Palmityltrimethyl ammonium bromide
  • Pollacid
  • Quamonium
  • Softex KW
  • Suticide
  • Trimethylcetylammonium bromide
  • Trimethylhexadecylammonium bromide
  • UNII-L64N7M9BWR

Systematic Names

  • 1-Hexadecanaminium, N,N,N-trimethyl-, bromide
  • 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)
  • Ammonium, hexadecyltrimethyl-, bromide
  • Cetrimonium bromide
  • Hexadecyltrimethylammonium bromide

Registry Numbers

CAS Registry Number

  • 57-09-0

FDA UNII

  • L64N7M9BWR

Other Registry Numbers

  • 104302-76-3
  • 108779-80-2
  • 12294-25-6
  • 69217-35-2
  • 79631-76-8

Related Registry Number

  • 6899-10-1 (Parent)

System Generated Number

  • 0000057090

Molecular Formulas

Molecular Formula

  • C19-H42-N.Br

Molecular Formula Fragments

  • Br
  • C19-H42-N
  • COMPONENT

Structure Descriptors

InChI

1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1

InChIKey

LZZYPRNAOMGNLH-UHFFFAOYSA-M

Smiles

C(CCCCCCCCCCCCC)CC[N+](C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 subcutaneous 100mg/kg (100mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 40, 1976.
mouse LD50 intraperitoneal 106mg/kg (106mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Food and Cosmetics Toxicology. Vol. 13, Pg. 331, 1975.
mouse LD50 intravenous 32mg/kg (32mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980.
rabbit LD50 intraperitoneal 125mg/kg (125mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 210, 1966.
rabbit LD50 subcutaneous 125mg/kg (125mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 210, 1966.
rat LD50 intravenous 44mg/kg (44mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980.
rat LD50 oral 410mg/kg (410mg/kg)   Yakkyoku. Pharmacy. Vol. 31, Pg. 471, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 240 deg C   EXP
log P (octanol-water) 3.180 (none)   EST
Water Solubility 1.00E+05 mg/L   EXP
Atmospheric OH Rate Constant 3.42E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.