methylene chloride
N,N-dimethylhexadecylamine
cetyltrimethylammonium chloride
Conditions | Yield |
---|---|
With Petroleum ether at 80℃; |
Conditions | Yield |
---|---|
With ethanol at 100 - 105℃; | |
In isopropyl alcohol for 72h; Heating; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aqueous ethanol 2: petroleum ether / 80 °C View Scheme |
1,2,4-Triazole
cetyltrimethylammonium chloride
hexadecyltrimethylammonium 1,2,4-triazolate
Conditions | Yield |
---|---|
In methanol at 20℃; Alkaline conditions; | 99% |
MCPA
cetyltrimethylammonium chloride
hexadecyltrimethylammonium (4-chloro-2-methylphenoxy)acetate
Conditions | Yield |
---|---|
Stage #1: cetyltrimethylammonium chloride With potassium hydroxide In methanol for 0.166667h; Stage #2: MCPA In methanol at 25℃; | 98% |
With sodium hydroxide In water at 20℃; for 2h; |
Conditions | Yield |
---|---|
Stage #1: cetyltrimethylammonium chloride With potassium hydroxide In methanol for 0.166667h; Stage #2: 3,6-dichloro-O-anisic acid In methanol at 25℃; | 98% |
Conditions | Yield |
---|---|
Stage #1: N-(phosphonemethyl)glycine With sodium hydroxide at 50℃; Stage #2: cetyltrimethylammonium chloride In water at 20℃; for 1h; | 98% |
1H-4(5)-nitroimidazole
cetyltrimethylammonium chloride
hexadecyltrimethylammonium 4-nitroimidazolate
Conditions | Yield |
---|---|
In methanol at 20℃; Alkaline conditions; | 97% |
Conditions | Yield |
---|---|
Stage #1: cetyltrimethylammonium chloride With potassium hydroxide In methanol for 0.166667h; Stage #2: 2,4-Dichlorophenoxyacetic acid In methanol at 25℃; | 97% |
1,2,3-Benzotriazole
cetyltrimethylammonium chloride
hexadecyltrimethylammonium benzotriazolate
Conditions | Yield |
---|---|
In methanol at 20℃; Alkaline conditions; | 96% |
(RS)-2-(4-chloro-o-tolyloxy)propionic acid
cetyltrimethylammonium chloride
hexadecyltrimethylammonium (+/-)-2-(4-chloro-2-methylphenoxy)propionate
Conditions | Yield |
---|---|
Stage #1: cetyltrimethylammonium chloride With potassium hydroxide In methanol for 0.166667h; Stage #2: (RS)-2-(4-chloro-o-tolyloxy)propionic acid In methanol at 25℃; | 96% |
Conditions | Yield |
---|---|
In water at 5℃; for 5h; | 94% |
cetyltrimethylammonium chloride
2-methyl-4-nitro-1H-imidazole
hexadecyltrimethylammonium 2-methyl-4-nitroimidazolate
Conditions | Yield |
---|---|
In methanol at 20℃; Alkaline conditions; | 94% |
cetyltrimethylammonium chloride
2-amino-2-cyanopropane
2,2'-azobis(isobutyronitrile)
Conditions | Yield |
---|---|
With sodium hypochlorite | 93.8% |
(2S)-2-(6-methoxy(2-naphthyl))propanoic acid
cetyltrimethylammonium chloride
Conditions | Yield |
---|---|
Stage #1: (2S)-2-(6-methoxy(2-naphthyl))propanoic acid With sodium hydroxide Stage #2: cetyltrimethylammonium chloride In isopropyl alcohol for 4h; Reflux; | 93.1% |
Conditions | Yield |
---|---|
With acetic acid at 20℃; for 0.5h; | 91% |
Conditions | Yield |
---|---|
Stage #1: cetyltrimethylammonium chloride With sodium carbonate In acetonitrile at 30℃; for 3h; Stage #2: N-(phosphonemethyl)glycine In acetonitrile at 25℃; for 5h; | 91% |
cetyltrimethylammonium chloride
trimethylhexadecylammonium tetrachloroferrate(III)
Conditions | Yield |
---|---|
In ethanol Heating; | 90% |
Conditions | Yield |
---|---|
Stage #1: Nb(CO)6; Na2Se4 In N,N-dimethyl-formamide at 90℃; for 1h; Inert atmosphere; Stage #2: cetyltrimethylammonium chloride In N,N-dimethyl-formamide at 70℃; Inert atmosphere; | 88.2% |
cetyltrimethylammonium chloride
molybdenum hexacarbonyl
Conditions | Yield |
---|---|
Stage #1: Na2Se4; molybdenum hexacarbonyl In N,N-dimethyl-formamide at 90℃; for 1h; Inert atmosphere; Stage #2: cetyltrimethylammonium chloride In N,N-dimethyl-formamide at 70℃; Inert atmosphere; | 86% |
Conditions | Yield |
---|---|
With lithium chloride In chloroform for 1h; | 85% |
1-bromo-12-cyclohexyldodecane
cetyltrimethylammonium chloride
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hydroxide In methanol; hexane | 74% |
With hydrogenchloride; sodium hydroxide In methanol; hexane |
Conditions | Yield |
---|---|
Stage #1: phosphotungstic acid With dihydrogen peroxide In water at 20℃; for 2h; Green chemistry; Stage #2: cetyltrimethylammonium chloride In ethanol; water at 40℃; Green chemistry; | 72.3% |
cetyltrimethylammonium chloride
Conditions | Yield |
---|---|
In 1,4-dioxane Heating; | 70% |
1-bromo-2,2-dimethoxyethane
cetyltrimethylammonium chloride
3-benzyloxy-2-hydroxypropyl octadecyl ether
3-benzyloxy-2-(2,2-dimethoxyethoxy)propyl octadecyl ether
Conditions | Yield |
---|---|
With sodium hydroxide at 85℃; for 20h; | 64% |
1-bromo-2,2-dimethoxyethane
cetyltrimethylammonium chloride
2-(benzyloxy)-3-(octadecyloxy)-1-propanol
3-benzyloxy-2-(2,2-dimethoxyethoxy)propyl octadecyl ether
Conditions | Yield |
---|---|
With sodium hydroxide In hexane | 64% |
1-O-(12-cyclohexyl)dodecyl-2-O-methylglycerol
cetyltrimethylammonium chloride
benzyl chloride
2-Benzyloxy-3-(12-cyclohexyldodecyloxy)propanol
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hydroxide In tetrahydrofuran; 1,4-dioxane; hexane | 45% |
cetyltrimethylammonium chloride
Conditions | Yield |
---|---|
In dichloromethane; water; toluene | 44.1% |
cetyltrimethylammonium chloride
Conditions | Yield |
---|---|
In water for 0.166667h; | 15% |
Conditions | Yield |
---|---|
With HCl In water 85% H3PO4 added to aq. soln. of cetyltrimethylammonium hydroxide/chloride, followed by addition of V metal and V2O5 at room temp., stirred for 1h, pH of soln. adjusted to 3.36 with dilute HCl, suspension removed to an autoclave, kept at 473 K for 48 h; filtered, resulting powder washed with water, evacuation at room temp. for 5 h, elem. anal.; | 4% |
p,p'-DDT
cetyltrimethylammonium chloride
1,1-bis(4-chlorophenyl)-2,2-dichloroethylene
Conditions | Yield |
---|---|
With sodium hydroxide In butan-1-ol at 25℃; Rate constant; dehydrohalogenation, effect of various alcohols (n-butyl and n-hexyl alcohol); |
The IUPAC name of this chemical is hexadecyl(trimethyl)azanium chloride. With the CAS registry number 112-02-7, it is also named as Cetyl trimethyl ammonium chloride. The product's categories are Hair Care; Home Care; Alkylamine Salts & Quarternary Ammonium Salts (Surfactants); Ammonium Chlorides (Quaternary); Biochemistry; Cationic Surfactants; Cationic Surfactants (for Biochemistry); Functional Materials; Quaternary Ammonium Compounds; Surfactants; Surfactants (for Biochemistry); Water Ttreatment Chemicals. It is white or yellowish paste or solid which is resistant to heat, light, strong acid and alkali. What's, more, Hexadecyltrimethylammonium chloride has excellent stability and biodegradability. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 15; (4)Exact Mass: 319.300578; (5)MonoIsotopic Mass: 319.300578; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 21; (8)Formal Charge: 0; (9)Complexity: 181 ; (10)Covalently-Bonded Unit Count: 2.
Preparation of Hexadecyltrimethylammonium chloride: Adding 250 kg hexadecane into the reactor dimethylamine and adding 250L petroleum ether to desolve it. Then giving 47 kg methyl chloride. Stirring and heating at a sealed condition, the solution is azeotropic 1h at 80 °C. After cooling, adding the solvent of ethyl alcohol and ethyl ester at the atmospheric pressure to re-crystallization. Then we can get the product.
Uses of Hexadecyltrimethylammonium chloride: It is a quaternary ammonium based surfactant that finds uses in broad number of industrial cleaning products. It is also commonly used in hair conditioners and shampoos, as a conditioning agent. In addition, this chemical can be used as silicone oil emulsion, conditioner emulsifier, fiber softener and antistatic agent. Besides, it can react with 2-bromo-1,1-dimethoxy-ethane and 3-benzyloxy-2-hydroxypropyl octadecyl ether to get 3-benzyloxy-2-(2,2-dimethoxyethoxy)propyl octadecyl ether. This reaction needs reagent 50percent sodium hydroxide at temperature of 85 °C. The reaction time is 20 hours. The yield is 64%.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. Besides, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste. So people shold avoid release it to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. Smiles:C(CCCCCCCCCCCCC)CC[N+](C)(C)C.[ClH-]
2. InChI:InChI=1/C19H42N.ClH/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
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | oral | 400mg/kg (400mg/kg) | National Technical Information Service. Vol. OTS0543823, | |
rabbit | LD50 | skin | 4300uL/kg/24H (4.3mL/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | National Technical Information Service. Vol. OTS0538116, |
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