CAS 57-09-0|Hexadecyl trimethyl ammonium bromide

Introduction:Basic information about CAS 57-09-0|Hexadecyl trimethyl ammonium bromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameHexadecyl trimethyl ammonium bromide
CAS Number57-09-0Molecular Weight364.448
Density/Boiling Point/
Molecular FormulaC19H42BrNMelting Point248-251 °C(lit.)
MSDSChineseUSAFlash Point244 °C
Symbol
GHS05, GHS07, GHS08, GHS09
Signal WordDanger

Names

NameHexadecyltrimethylammonium bromide
SynonymMore Synonyms

Hexadecyl trimethyl ammonium bromide BiologicalActivity

DescriptionCetrimonium bromide is an amine based cationic quaternary surfactant, is one of the components of the topical antiseptic Cetrimide.
Related CatalogSignaling Pathways >>Others >>OthersResearch Areas >>Others

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)

Safety Information

Symbol
GHS05, GHS07, GHS08, GHS09
Signal WordDanger
Hazard StatementsH302-H315-H318-H335-H373-H400
Precautionary StatementsP260-P280-P301 + P312 + P330-P305 + P351 + P338 + P310
Target OrgansGastrointestinal tract
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard CodesXn:Harmful
Risk PhrasesR22;R36/37/38;R50/53
Safety PhrasesS26-S39-S61-S37/39
RIDADRUN 3077 9/PG 3
WGK Germany3
RTECSBQ7875000
Packaging GroupIII
Hazard Class9
HS Code29239000

Customs

HS Code29239000

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Synonyms

EINECS 200-311-3
cetyltrimethyl ammonium bromide
cetyl trimethylammonium bromide
cetrimonium bromide
CTMAB
Hexadecyltrimethylammonium bromide
CTAB
Lissolamine V
MFCD00011772
Varisoft CTB 40
Arquad 16/60
BCTA
Cetyltrimethylammonium bromide
1-Hexadecyltrimethylammonium bromide
N,N,N-Trimethyl-1-hexadecanaminium bromide
C.T.A.B.
CTABr
cetyl trimethyl ammonium bromide
Hexadecyl trimethyl ammonium bromide
N,N,N-Trimethylhexadecan-1-aminium bromide
1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)
Rhodaquat M 242B99
Cetrimonium (bromide)
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