57-09-0
Hexadecyltrimethylammonium bromide
CAS: 57-09-0
Molecular Formula: C19H42BrN
57-09-0 - Names and Identifiers
| Name | Hexadecyltrimethylammonium bromide |
| Synonyms | HTAB CTAB CTABr CTMAB TIMTEC-BB SBB008910 Cetyltrimethylammonium Bromide Cetyl Trimethyl Ammonium Bromide PALMITYLTRIMETHYLAMMONIUM BROMIDE Hexadecyltrimethylammonium bromide TRIMETHYLHEXADECYL-AMMONIUM BROMIDE N-HEXADECYLTRIMETHYLAMMONIUM BROMIDE Hexadecyl Trimethyl Ammonium Bromide N-Hexadecyltrimethylammonium Bromide N-CETYL-N,N,N-TRIMETHYLAMMONIUM BROMIDE N,N,N-TRIMETHYLTETRADECYLAMMONIUM BROMIDE N,N,N-trimethylhexadecan-1-aminium bromide N-HEXADECYL-N,N,N-TRIMETHYLAMMONIUM BROMIDE Hexadecanaminium, N,N,N-trimethyl-, bromide 1-Hexadecanaminium,N,N,N-trimethyl-,bromide |
| CAS | 57-09-0 |
| EINECS | 200-311-3 |
| InChI | InChI=1/C51H105N.BrH/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49(4)52(50(5)47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)51(6)48-45-42-39-36-33-30-27-24-21-18-15-12-9-3;/h49-51H,7-48H2,1-6H3;1H |
| InChIKey | LZZYPRNAOMGNLH-UHFFFAOYSA-M |
57-09-0 - Physico-chemical Properties
| Molecular Formula | C19H42BrN |
| Molar Mass | 364.45 |
| Density | 1.1107 (rough estimate) |
| Melting Point | 248-251°C(lit.) |
| Flash Point | 244°C |
| Water Solubility | 13 g/L (20 ºC) |
| Solubility | Soluble in water (36.4 g/l) at 20 °C, methanol (>200 g/l) at 20 °C, alcohol (Very so |
| Appearance | White crystal |
| Color | white |
| Odor | Odorless |
| Maximum wavelength(λmax) | ['λ: 260 nm Amax: 0.06', , 'λ: 280 nm Amax: 0.05'] |
| Merck | 14,2025 |
| BRN | 3598189 |
| PH | 5.0-7.0 (25℃, 0.1M in H2O) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong oxidizing agents. Protect from moisture. |
| Sensitive | Hygroscopic |
| Refractive Index | 1.5260 (estimate) |
| MDL | MFCD00011772 |
| Physical and Chemical Properties | white waxy solid. Molecular weight 364.10. Soluble in water, ethanol. It dissociates into cationic active groups in water and has good emulsifying effect. In water on mineral oil, animal and vegetable oils, synthetic oils and fats can be very good emulsification, and not affected by pH value. Acid resistance, alkali resistance and heat resistance are excellent. Active "60%,PH (1% aqueous solution)" 6.5. |
| Use | Cationic surfactants. Mainly used as cosmetics fungicides, softeners, emulsifiers and antistatic agents. When used in hair conditioner, it can be adsorbed on the surface of the hair to form a single molecular film, so that the hair is bulky, soft and gives the hair a natural luster. At the same time, it can also inhibit the static electricity generated by the friction on the surface of the hair, make the hair easy to comb. |
57-09-0 - Risk and Safety
| Risk Codes | 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. R48/22 - Harmful danger of serious damage to health by prolonged exposure if swallowed. |
| Safety Description | 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 sheets. S37/39 - Wear suitable gloves and eye/face protection S60 - This material and its container must be disposed of as hazardous waste. S36 - Wear suitable protective clothing. |
| UN IDs | UN 3077 9/PG 3 |
| WGK Germany | 3 |
| RTECS | BQ7875000 |
| FLUKA BRAND F CODES | 3 |
| TSCA | Yes |
| HS Code | 29239000 |
| Hazard Class | 9 |
| Packing Group | III |
| Toxicity | LD50 in mice, rats (mg/kg): 32.0, 44.0 i.v. (Isomaa, Bjondahl) |
57-09-0 - Upstream Downstream Industry
| Raw Materials | Trimethylamine 1-Hexadecanol Bromine |
57-09-0 - Reference
| Reference Show more | 1. Zhang Wenjing, Huang Qianqian, Chen Yunna, etc. Preparation and characterization of polydopamine coated Adriamycin/Hollow mesoporous silica nanoparticles [J]. Central South pharmacy, 2020(3):364-368. 2. Liao Yu, Yu Lan. Determination of cimetidine by charge transfer spectrophotometry [J]. Journal of Zunyi Medical University, 2020,43(01):104-111. 3. Wang Wenzhi, Yang benpeng, Feng Xiaoyan, etc. Extraction and molecular identification of brown sugar DNA from transgenic sugarcane [J]. Molecular plant breeding, 2019, 30 (4):1220-1227. 4. Chen, S., li, Y., wu, S. et al. A phosphorescent probe for cephalexin consisting of mesoporous thioglycolic acid-modified Mn:ZnS quantum dots coated with a molecularly imprinted polymer. Microchim Acta 187, 40 (2020). https://doi.org/10.1007/s00604-019-403 5. He, B ., Yan, X. An amperometric zearalenone aptasensor based on signal amplification by using a composite prepared from porous platinum nanotubes, gold nanoparticles and thionine-labelled graphene oxide. Microchim Acta 186, 383 (2019). https://doi.org/10.1 6. He, B ., Yan X. An amperometric zearalenone aptasensor based on signal amplification by using a composite prepared from porous platinum nanotubes, gold nanoparticles and thionine-labelled graphene oxide. Microchim Acta 186, 383 (2019). https://doi.org/10.1 7. Baoshan He, Xiaoze Dong, Nb.BbvCI powered DNA walking machine-based Zr-MOFs-labeled electrochemical aptasensor using Pt@AuNRs/Fe-MOFs/PEI-rGO as electrode modification material for patulin detection Chemical Engineering Journal, Volume 405, 2021, 126642, 8. Baoshan He, Xiaohai Yan, A “signal-on” voltammetric aptasensor fabricated by hcPt@AuNFs/PEI-rGO and Fe3O4NRs/rGO for the detection of zearalenone, Sensors and Actuators B: Chemical, Volume 290, 2019, Pages 477-483, ISSN 0925-4005, https://doi.org/10.1016/j 9. [IF=13.273] Baoshan He et al."Nb.BbvCI powered DNA walking machine-based Zr-MOFs-labeled electrochemical aptasensor using Pt@AuNRs/Fe-MOFs/PEI-rGO as electrode modification material for patulin detection."Chem Eng J. 2021 Feb;405:126642 10. [IF=8.131] Jiawei Liu et al."Defense and inhibition integrated mesoporous nanoselenium delivery system against tomato gray mold."Environ Sci-Nano. 2020 Jan;7(1):210-227 11. [IF=8.116] Giorgia Croppi et al."Discovery of an Inhibitor for Bacterial 3-Mercaptopyruvate Sulfurtransferase that Synergistically Controls Bacterial Survival."Cell Chem Biol. 2020 Dec;27:1483 12. [IF=7.991] Ming Lu et al."A polyethyleneimine reduced graphene oxide/gold nanocubes based electrochemical aptasensor for chloramphenicol detection using single-stranded DNA-binding protein."Mater Design. 2021 Feb;199:109409 13. [IF=7.92] Xinqiang Feng et al."Is hydrolysis a bad news for p-xylene production from 2,5-dimethylfuran and ethylene? Mechanism investigation into the role of acid strength during 2,5-hexanedione conversion."J Catal. 2021 Sep;401:214 14. [IF=7.46] Baoshan He et al."A “signal-on” voltammetric aptasensor fabricated by hcPt@AuNFs/PEI-rGO and Fe3O4NRs/rGO for the detection of zearalenone."Sensor Actuat B- Chem. 2019 Jul;290:477 15. [IF=7.46] Jiawen Li et al."Dual mode competitive electrochemical immunoassay for dibutyl phthalate detection based on PEI functionalized nitrogen doped graphene-CoSe2/gold nanowires and thionine-Au@Pt core-shell."Sensor Actuat B- Chem. 2021 Mar;331:129401 16. [IF=5.833] He Baoshan et al."An amperometric zearalenone aptasensor based on signal amplification by using a composite prepared from porous platinum nanotubes gold nanoparticles and thionine-labelled graphene oxide."Microchim Acta. 2019 Jun;186(6):1-10 17. [IF=5.373] Han Yan et al."A label-free electrochemical immunosensing platform based on PEI-rGO/Pt@Au NRs for rapid and sensitive detection of zearalenone."Bioelectrochemistry. 2022 Feb;143:107955 18. [IF=4.098] Meng Zhang et al."Assembly of gold nanorods with L-cysteine reduced graphene oxide for highly efficient NIR-triggered photothermal therapy."Spectrochim Acta A. 2022 Feb;266:120458 19. [IF=8.128] Yang Wang et al."Pillar[5]arene based glyco-targeting nitric oxide nanogenerator for hyperthermia-induced triple-mode cancer therapy."J Colloid Interf Sci. 2022 Jun;615:386 20. [IF=3.125] Chuying Zhang et al."Study on structural and functional properties of porous SiO2 core-shell construction/polyethylene nanocomposites with enhanced interfacial interaction."Journal Of Applied Polymer Science. 2022 Jan 04 21. [IF=5.645] Zelin Wang et al."A sustainable and integrated natural surfactant mediated microwave-assisted extraction technique enhances the extraction of phytochemicals from plants."INDUSTRIAL CROPS AND PRODUCTS. 2022 Sep;184:115043 |
57-09-0 - Nature
Open Data Verified Data
White is a pale yellow solid or colloidal liquid. Soluble in water (10 water), ethanol, acetone-soluble, almost insoluble in ether and benzene. Heat-resistant, light-resistant, strong solution-resistant and strong alkali-resistant. It has excellent surface activity, stability and biodegradability.
Last Update：2024-01-02 23:10:35
57-09-0 - Preparation Method
Open Data Verified Data
Firstly, decanol and bromine were reacted under the catalysis of red phosphorus to obtain Bromo-decane, and then reacted with trimethylamine quaternary ammonium.
Last Update：2022-01-01 09:29:32
57-09-0 - Introduction
It is a quaternary ammonium salt. It's hygroscopic. There is acid solution stability. Solubility in water: 13g/L (20°C), soluble in ethanol and methanol (>200g/L ,20°C), slightly soluble in acetone, almost insoluble in ether, chloroform and benzene. Median lethal dose (rat, vein) 44mg/kg. It is irritating to eyes, respiratory system and skin.
Last Update：2022-10-16 17:26:28
57-09-0 - Use
Open Data Verified Data
in the water treatment industry, it can be used as a bactericidal algaecide, slime stripping agent and cleaning agent, and has a good emulsifying effect on a variety of oils in water. It has good compatibility with cationic, nonionic and zwitterionic surfactants. Its anti-microbial performance is equivalent to that of benzalkonium chloride. It can be used for microbial control and cleaning of circulating water system, and has a good killing effect on heterotrophic bacteria, iron bacteria and sulfate reducing bacteria. In general, it is used at a concentration of 50 to 100mg/L.
Last Update：2022-01-01 09:29:33
57-09-0 - Safety
Open Data Verified Data
mice and rats were intravenously injected with LD50:32, 0 mg/kg, 44.0 mg/kg. It is corrosive to skin and eyes.
Last Update：2022-01-01 09:29:33
57-09-0 - Reference Information
| pH range of acid-base indicator discoloration | 5 - 7 |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| properties | decasix alkyl trimethyl ammonium bromide is white or light yellow crystals to powder, soluble in isopropanol, soluble in water, A large amount of foam is generated when shaking, which has good compatibility with cationic, non-ionic and amphoteric surfactants. With excellent penetration, softening, emulsification, antistatic, biodegradability and sterilization properties. This product has good chemical stability, heat resistance, light resistance, pressure resistance, strong acid and alkali resistance. |
| pharmacology | the main component of cetrimonium bromide is carbomer, which is a chain connection composed of water-filled polymers, adhesion of the skeleton. This polymer has a unique thixotropy: that is, its structure is destroyed under the action of external force, resulting in a decrease in viscosity; After rest, its bound gel skeleton will be reconstructed, and the gel will return to the original viscosity. |
| Application | has excellent penetration, softening, emulsifying, antistatic, biodegradable and bactericidal properties. Chemical stability, heat-resistant, light-resistant, pressure-resistant, resistant to strong acid and alkali. Used as natural, synthetic rubber, silicone oil and asphalt emulsifier; Synthetic fiber, natural fiber and glass fiber antistatic agent, softener; Conditioner. used as hair conditioner, softener, bactericide, emulsifier, flocculant, etc. This product is a cationic surfactant. Can be used as a disinfectant, the preparation of gargle, disinfectant, intestinal grape absorption inhibitor. It can also be used as a micelle solubilization spectrophotometric determination reagent. for organic synthesis, can also be used as cationic surfactant, used as bactericide, preparation of gargle, disinfectant, intestinal glucose absorption inhibitor. The product is also commonly used micellar solubilization spectrophotometric reagent. used as intestinal glucose absorption inhibitor, surfactant cationic surfactant. Mainly used as cosmetics fungicides, softeners, emulsifiers and antistatic agents. When used in hair conditioner, it can be adsorbed on the surface of the hair to form a single molecular film, so that the hair is bulky, soft and gives the hair a natural luster. At the same time, it can also inhibit the static electricity generated by the friction on the surface of the hair, make the hair easy to comb. colorimetric or Photometric Determination of antimony and tin; Inhibitors of glucose absorption in the intestine; Phase transfer catalysts for the reduction of aromatic hydrocarbons and epoxidation of olefins; Surfactants; Disinfectants |
| production method | a quaternary ammonium salt is formed from the bromination of bromine with trimethylamine. The trimethylamine aqueous solution is put into the vaporization kettle, heated to boiling, the generated trimethylamine gas is dried and absorbed with acetone, and the trimethylamine acetone solution is generated in the absorption tower, this was entered into the quaternization kettle. Bromodecane was then added dropwise with stirring in a molar ratio of 1.10: 1. During the dropwise addition, the temperature was maintained at 30-40 ℃, and the mixture was stirred for 1 h after dropping. The crystals were cooled to give a crude product, which was washed with acetone, spin dried and dried to give a product. |
| category | pesticide |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 410 mg/kg; Intravenous-mouse LD50: 32 mg/kg |
| stimulation data | Skin-mice 50 mg/1 H positive; eye-rabbit 450 mg severe |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; Combustion emissions of nitrogen-containing oxides, bromide-stimulated smoke |
| storage and transportation characteristics | The warehouse is low temperature, ventilated and dry, and stored separately from food raw materials |
| fire extinguishing agent | foam, water mist, carbon dioxide, sand |
Last Update：2024-04-19 11:37:21
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