• Hexadecyl trimethyl ammonium bromide
Hexadecyl trimethyl ammonium bromide
Common Name Hexadecyl trimethyl ammonium bromide CAS Number 57-09-0 Molecular Weight 364.448 Density N/A Boiling Point N/A Molecular Formula C19H42BrN Melting Point 248-251 °C(lit.)

Hexadecyl trimethyl ammonium bromide Biological Activity

DescriptionCetrimonium bromide is an amine based cationic quaternary surfactant, is one of the components of the topical antiseptic Cetrimide.
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Chemical & Physical Properties

Melting Point248-251 °C(lit.)
Molecular FormulaC19H42BrN
Molecular Weight364.448
Flash Point244 °C
Exact Mass363.250061
LogP3.17790
InChIKeyLZZYPRNAOMGNLH-UHFFFAOYSA-M
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
StabilityStable. Incompatible with strong oxidizing agents. Protect from moisture.
Water Solubility13 g/L (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

  • RTECS NUMBER :
  • BQ7875000
  • CHEMICAL NAME :
  • Ammonium, hexadecyltrimethyl-, bromide
  • CAS REGISTRY NUMBER :
  • 57-09-0
  • LAST UPDATED :
  • 199707
  • DATA ITEMS CITED :
  • 17
  • MOLECULAR FORMULA :
  • C19-H42-N.Br
  • MOLECULAR WEIGHT :
  • 364.53
  • WISWESSER LINE NOTATION :
  • 16K1&1&1 &Q &E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

  • TYPE OF TEST :
  • Open irritation test
  • ROUTE OF EXPOSURE :
  • Administration onto the skin
  • SPECIES OBSERVED :
  • Rodent - mouse
  • REFERENCE :
  • BJDEAZ British Journal of Dermatology. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.63- 1951- Volume(issue)/page/year: 86,361,1972
  • TYPE OF TEST :
  • Standard Draize test
  • ROUTE OF EXPOSURE :
  • Administration into the eye
  • SPECIES OBSERVED :
  • Rodent - rabbit
  • REFERENCE :
  • AROPAW Archives of Ophthalmology (Chicago). (AMA, 535 N. Dearborn St., Chicago, IL 60610) New series: V.1-44(3), 1929-50; V.64- 1960- Volume(issue)/page/year: 40,668,1948 ** ACUTE TOXICITY DATA **
  • TYPE OF TEST :
  • LD50 - Lethal dose, 50 percent kill
  • ROUTE OF EXPOSURE :
  • Oral
  • SPECIES OBSERVED :
  • Rodent - rat
  • DOSE/DURATION :
  • 410 mg/kg
  • TOXIC EFFECTS :
  • Details of toxic effects not reported other than lethal dose value
  • REFERENCE :
  • YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 31,471,1980
  • TYPE OF TEST :
  • LD50 - Lethal dose, 50 percent kill
  • ROUTE OF EXPOSURE :
  • Intravenous
  • SPECIES OBSERVED :
  • Rodent - rat
  • DOSE/DURATION :
  • 44 mg/kg
  • TOXIC EFFECTS :
  • Lungs, Thorax, or Respiration - other changes
  • REFERENCE :
  • APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 47,17,1980
  • TYPE OF TEST :
  • LD50 - Lethal dose, 50 percent kill
  • ROUTE OF EXPOSURE :
  • Intraperitoneal
  • SPECIES OBSERVED :
  • Rodent - mouse
  • DOSE/DURATION :
  • 106 mg/kg
  • TOXIC EFFECTS :
  • Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
  • REFERENCE :
  • FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,331,1975
  • TYPE OF TEST :
  • LD50 - Lethal dose, 50 percent kill
  • ROUTE OF EXPOSURE :
  • Intravenous
  • SPECIES OBSERVED :
  • Rodent - mouse
  • DOSE/DURATION :
  • 32 mg/kg
  • TOXIC EFFECTS :
  • Lungs, Thorax, or Respiration - other changes
  • REFERENCE :
  • APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 47,17,1980
  • TYPE OF TEST :
  • LD50 - Lethal dose, 50 percent kill
  • ROUTE OF EXPOSURE :
  • Intraperitoneal
  • SPECIES OBSERVED :
  • Rodent - rabbit
  • DOSE/DURATION :
  • 125 mg/kg
  • TOXIC EFFECTS :
  • Details of toxic effects not reported other than lethal dose value
  • REFERENCE :
  • PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,210,1966
  • TYPE OF TEST :
  • LD50 - Lethal dose, 50 percent kill
  • ROUTE OF EXPOSURE :
  • Subcutaneous
  • SPECIES OBSERVED :
  • Rodent - rabbit
  • DOSE/DURATION :
  • 125 mg/kg
  • TOXIC EFFECTS :
  • Details of toxic effects not reported other than lethal dose value
  • REFERENCE :
  • PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,210,1966
  • TYPE OF TEST :
  • LD50 - Lethal dose, 50 percent kill
  • ROUTE OF EXPOSURE :
  • Subcutaneous
  • SPECIES OBSERVED :
  • Rodent - guinea pig
  • DOSE/DURATION :
  • 100 mg/kg
  • TOXIC EFFECTS :
  • Details of toxic effects not reported other than lethal dose value
  • REFERENCE :
  • 28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 5,40,1976 ** OTHER MULTIPLE DOSE TOXICITY DATA **
  • TYPE OF TEST :
  • TDLo - Lowest published toxic dose
  • ROUTE OF EXPOSURE :
  • Oral
  • SPECIES OBSERVED :
  • Rodent - rat
  • DOSE/DURATION :
  • 16380 mg/kg/1Y-C
  • TOXIC EFFECTS :
  • Gastrointestinal - other changes Musculoskeletal - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
  • REFERENCE :
  • ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 35,91,1976 ** REPRODUCTIVE DATA **
  • TYPE OF TEST :
  • TDLo - Lowest published toxic dose
  • ROUTE OF EXPOSURE :
  • Intraperitoneal
  • DOSE :
  • 10500 ug/kg
  • SEX/DURATION :
  • female 8 day(s) after conception
  • TOXIC EFFECTS :
  • Reproductive - Specific Developmental Abnormalities - musculoskeletal system
  • REFERENCE :
  • FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,331,1975
  • TYPE OF TEST :
  • TDLo - Lowest published toxic dose
  • ROUTE OF EXPOSURE :
  • Intraperitoneal
  • DOSE :
  • 35 mg/kg
  • SEX/DURATION :
  • female 8 day(s) after conception
  • TOXIC EFFECTS :
  • Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
  • REFERENCE :
  • FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,331,1975
  • TYPE OF TEST :
  • TDLo - Lowest published toxic dose
  • ROUTE OF EXPOSURE :
  • Intraperitoneal
  • DOSE :
  • 10500 ug/kg
  • SEX/DURATION :
  • female 10 day(s) after conception
  • TOXIC EFFECTS :
  • Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
  • REFERENCE :
  • FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,331,1975
  • TYPE OF TEST :
  • TDLo - Lowest published toxic dose
  • ROUTE OF EXPOSURE :
  • Intraperitoneal
  • DOSE :
  • 35 mg/kg
  • SEX/DURATION :
  • female 12 day(s) after conception
  • TOXIC EFFECTS :
  • Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
  • REFERENCE :
  • FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,331,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T1981 No. of Facilities: 373 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 4695 (estimated) No. of Female Employees: 2068 (estimated)
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