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| CAS No.: | 112-02-7 |
|---|---|
| Name: | N-Hexadecyltrimethylammonium chloride |
| Molecular Structure: | |
|
|
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| Formula: | C19H42N.Cl |
| Molecular Weight: | 320.002 |
| Synonyms: | Arquad 16-26;Arquad 16-29;Arquad 16-29W;Arquad 16-50;BP 40;Barquat CT 29;C 16TAC;CA 2350;CETAC;CTAC;CTAC 1;CTAC30KC;CTACL;Carsoquat CT 425;Carsoquat CT 429;Catinal CTC 70ET;Catiogen TMP;Cation PB 40;Cationic 1631;Cetac 30;Cetrimonium chloride;Cetyltrimethylammonium chloride;D 1631;Dehyquart A;Dehyquart A-CA;DehyquartA-CE;Dodigen 1383;FSM 28;Genamin CTAC;Genamin CTAC 50;Genamin CTAC 50ET;HDTMA-Cl;HTAC;Incroquat CTC 30;Intexan CTC 29;Intexsan CTC 29;Intexsan CTC50;Lebon TM 16;Lebon TM 60;Morpan CHA;N,N,N-Trimethyl-1-hexadecanaminiumchloride;Nissan Cation PB 40;PB 40;Palmityltrimethylammonium chloride;Pionin B 611;Protaquat CT 29; |
| EINECS: | 203-928-6 |
| Density: | 0.968 g/mL at 25 °C |
| Melting Point: | 232-234 °C |
| Boiling Point: | 100oC |
| Solubility: | soluble in water |
| Appearance: | White or yellowish paste or solid |
| Hazard Symbols: |
 Xi, N, Xn
|
| Risk Codes: | 38-41-50-50/53-37/38-22-43-36/37/38 |
| Safety: | 26-39-60-61-37/39-36 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 0.00000 |
| LogP: | 3.17790 |
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| 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 |
- 288-88-0
1,2,4-Triazole
- 112-02-7
cetyltrimethylammonium chloride
- 1256752-07-4
hexadecyltrimethylammonium 1,2,4-triazolate
| Conditions | Yield |
|---|---|
| In methanol at 20℃; Alkaline conditions; | 99% |
- 94-74-6
MCPA
- 112-02-7
cetyltrimethylammonium chloride
- 1082249-42-0
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% |
- 3034-38-6
1H-4(5)-nitroimidazole
- 112-02-7
cetyltrimethylammonium chloride
- 1256752-10-9
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% |
- 95-14-7
1,2,3-Benzotriazole
- 112-02-7
cetyltrimethylammonium chloride
- 1256752-04-1
hexadecyltrimethylammonium benzotriazolate
| Conditions | Yield |
|---|---|
| In methanol at 20℃; Alkaline conditions; | 96% |
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Consensus Reports
Specification
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.
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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%.
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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, |