ChemicalBook--->CAS DataBase List--->57-09-0

57-09-0

57-09-0 Structure

57-09-0 Structure
IdentificationMore
[Name]

Hexadecyl trimethyl ammonium bromide
[CAS]

57-09-0
[Synonyms]

(1-HEXADECYL)TRIMETHYLAMMONIUM BROMIDE
CETAB
CETRAMIDE
CETRIMIDE
CETRIMIDE PER USP
CETRIMONIUM BROMIDE
CETYLTRIMETHYLAMMONIUM BROMIDE
CTAB
CTABR
HEXADECYLTRIMETHYLAMMONIUM BROMIDE
N-CETYL-N,N,N-TRIMETHYLAMMONIUM BROMIDE
N-HEXADECYL-N,N,N-TRIMETHYLAMMONIUM BROMIDE
N-HEXADECYLTRIMETHYLAMMONIUM BROMIDE
N,N,N-TRIMETHYLTETRADECYLAMMONIUM BROMIDE
PALMITYLTRIMETHYLAMMONIUM BROMIDE
TIMTEC-BB SBB008910
TRIMETHYLHEXADECYL-AMMONIUM BROMIDE
1-Hexadecanaminium,N,N,N-trimethyl-,bromide
acetoquatctab
ammonium,hexadecyltrimethyl-,bromide
[EINECS(EC#)]

200-311-3
[Molecular Formula]

C19H42BrN
[MDL Number]

MFCD00011772
[Molecular Weight]

364.45
[MOL File]

57-09-0.mol
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

248-251 °C(lit.)
[bulk density]

390kg/m3
[density ]

1.1107 (rough estimate)
[refractive index ]

1.5260 (estimate)
[Fp ]

244 °C
[storage temp. ]

Store at RT.
[solubility ]

H2O: 50 mg/mL
[form ]

powder
[color ]

white
[Odor]

Odorless
[PH]

5.0-7.0 (25℃, 0.1M in H2O)
[PH Range]

5 - 7
[Stability:]

Stable. Incompatible with strong oxidizing agents. Protect from moisture.
[Water Solubility ]

13 g/L (20 ºC)
[Sensitive ]

Hygroscopic
[λmax]

λ: 260 nm Amax: 0.06
λ: 280 nm Amax: 0.05
[Detection Methods]

T,NMR
[Merck ]

14,2025
[BRN ]

3598189
[Cosmetics Ingredients Functions]

PRESERVATIVE
ANTISTATIC
SURFACTANT - EMULSIFYING
ANTIMICROBIAL
[Cosmetic Ingredient Review (CIR)]

Hexadecyl trimethyl ammonium bromide (57-09-0)
[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]

[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C
[Uses]

cetrimonium bromide is a quaternary ammonium salt that can prevent the proliferation of bacteria, fungi, and yeast in cosmetic preparation, while also act as an emulsifying agent.
[CAS DataBase Reference]

57-09-0(CAS DataBase Reference)
[EPA Substance Registry System]

57-09-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS05,GHS07,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H335-H373-H410
[Precautionary statements ]

P273-P280-P301+P312-P302+P352-P305+P351+P338-P314
[Hazard Codes ]

Xn,N
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R50:Very Toxic to aquatic organisms.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
S60:This material and/or its container must be disposed of as hazardous waste .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[RTECS ]

BQ7875000
[F ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29239000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Irrit. 2
STOT RE 2 Oral
STOT SE 3
[Toxicity]

LD50 in mice, rats (mg/kg): 32.0, 44.0 i.v. (Isomaa, Bjondahl)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Bromine-->Trimethylamine-->1-Hexadecanol-->1-Bromohexadecane-->1-amino-2-propanone-->Hexadecyldimethylamine
[Preparation Products]

1-(N-METHYLPIPERIDIN-3-YL-METHYL)PIPERAZINE-->Diphenylacetylene-->Fluazifop-P-butyl-->1-PYRIDIN-3-YLMETHYL-PIPERAZINE-->3-CYANO-7-METHOXYCOUMARIN-->the chelating resin of crosslinking chitosan condense with salilylaldehyde-->1,3,6,8-Tetranitronaphthalene-->AMINOPEPTIDASE M-->Methyl Orange-->Sodium cyanide-->4-CHLOROMETHYLPHENYLACETIC ACID METHYL ESTER-->Hexadecyl trimethyl ammonium iodide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Hexadecyl trimethyl ammonium bromide(57-09-0).msds
Hazard InformationBack Directory
[Chemical Properties]

White powder. Soluble in water, alcohol, and chloroform.
[Definition]

ChEBI: The organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide.
[General Description]

Hexadecyltrimethylammonium bromide is a titrant for the potentiometric titration of perchlorate with ionselective electrodes.
[Biochem/physiol Actions]

Hexadecyltrimethylammonium bromide also called cetyltrimethylammonium bromide (CTAB), is a cationic surfactant. CTAB is employed for extraction of DNA. CTAB method is efficient, cost and time effective for DNA extraction. CTAB is used as a shaping material and reducing agent for nanoparticle generation.
[Purification Methods]

Crystallise it from EtOH, EtOH/*benzene or from wet acetone after extracting twice with pet ether. Shake it with anhydrous diethyl ether, filter and dissolve it in a little hot MeOH. After cooling in the refrigerator, the precipitate is filtered off at room temperature and re-dissolved in MeOH. Anhydrous ether is added and, after warming to obtain a clear solution, it is cooled and the crystalline material is collected. [Dearden & Wooley J Phys Chem 91 2404 1987, Hakemi et al. J Am Chem Soc 91 120 1987, Beilstein 4 IV 819.]
[References]

[1] Liu, Tingting et al. “Hexadecyl trimethyl ammonium bromide assisted growth of NiCo2O4@reduced graphene oxide/ nickel foam nanoneedle arrays with enhanced performance for supercapacitor electrodes?.” RSC Advances 7 (2022): 4029–4041.
Spectrum DetailBack Directory
[Spectrum Detail]

Hexadecyl trimethyl ammonium bromide(57-09-0)MS
Hexadecyl trimethyl ammonium bromide(57-09-0)1HNMR
Hexadecyl trimethyl ammonium bromide(57-09-0)13CNMR
Hexadecyl trimethyl ammonium bromide(57-09-0)IR1
Hexadecyl trimethyl ammonium bromide(57-09-0)IR2
Hexadecyl trimethyl ammonium bromide(57-09-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Hexadecyltrimethylammonium bromide, 99+%(57-09-0)
[Alfa Aesar]

(1-Hexadecyl)trimethylammonium bromide, 98%(57-09-0)
[Sigma Aldrich]

57-09-0(sigmaaldrich)
[TCI AMERICA]

Hexadecyltrimethylammonium Bromide,>98.0%(T)(57-09-0)
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