Stearyldimethylbenzylammonium chloride

• CAS: 122-19-0
• Catalog Number: ACM122190-3
• Category: Main Products
• Molecular Weight: 424.1
• Molecular Formula: C27H50ClN
• Synonyms: Benzyldimethylstearylammonium chloride
• IUPAC Name: Benzyl-dimethyl-octadecylazanium;chloride
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• InChI: InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
• InChI Key: SFVFIFLLYFPGHH-UHFFFAOYSA-M
• Boiling Point: 100ºC
• Melting Point: 54-56°C
• Flash Point: 94°C
• Density: 0.98
• Appearance: White paste
• Assay: 0.8
• Complexity: 316
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• EC Number: 204-527-9
• Exact Mass: 423.3631783
• Hazard Statements: C:Corrosive
• Heavy Atom Count: 29
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 423.3631783
• Packaging: 1 kg
• Physical State: Colorless to light yellow liquid
• Rotatable Bond Count: 19
• Safety Description: S36/37/39-S45-S61
• Storage Conditions: Refrigerator
• Topological Polar Surface Area: 0 Ų
• UN Number: 2811

Case Study

Stearyldimethylbenzylammonium Chloride as Surfactant for The Synthesis of Adipic Acid

Peñate, Isariebel Quesada, et al. Chemical engineering journal, 2012, 200, 357-364.

Adipic acid [HOOC(CH2)4COOH] was synthesized from cyclohexene and hydrogen peroxide in a microemulsion using stearyldimethylbenzylammonium chloride (BenzCl C18) as surfactant by a pilot-scale clean technology.
Synthesis of adipic acid in a microemulsion
· The experiment was conducted in a 0.5 L water-jacketed glass reactor with a magnetic stirring bar and reflux condenser.
· BenzCl C18 (8.25 g), hydrogen peroxide (30% solution, 132.15 g), sodium tungstate (2.05 g), and sulfuric acid (4.6 g) were combined in the reactor. The mixture was stirred vigorously at 70 °C until fully dissolved, then 15 g of cyclohexene was added and the temperature maintained at 85 °C for 8 hours. After cooling to 40 °C for 1 hour, adipic acid precipitated and was recovered using Büchner filtration. The crude product was washed with 10 mL of cold water, resulting in a white powder that was dried at 40 °C.
· To scale up the process, two different reaction volumes of 0.14 L and 1.4 L were used. In the 1.4 L reaction volume, the same steps were followed but with increased quantities of the reactants: 82.5 g of BenzCl C18, 1321.5 g of hydrogen peroxide (30% solution), 20.5 g of sodium tungstate, 46 g of sulfuric acid, and 150 g of cyclohexene.

Stearyldimethylbenzylammonium Chloride Used in the Synthesis of Quaternary Ammonium Polyionic Liquids

Zang, Xiyu, et al. Journal of Molecular Liquids, 2020, 298, 112044.

This work uses vinyl benzoate and different quaternary ammonium salts to provide CO2-philic groups and viscosity-enhancing groups, respectively, and synthesizes quaternary ammonium polyionic liquids (PILs) products (TDBAS, HDBAS and SDBAS) through three steps of polymerization, sulfonation and ion exchange. Among them, the use of stearyl dimethyl benzyl ammonium chloride is involved in the third step of ion exchange.
The third step-ion exchange process
· In the presence of ultrasound, tetradecyl dimethyl benzyl ammonium chloride (2.43 g, 0.0066 mol), hexadecyl dimethyl benzyl ammonium chloride (2.61 g, 0.0066 mol), and stearyl dimethyl benzyl ammonium chloride (2.76 g, 0.0066 mol) were each placed in separate three-necked flasks.
Subsequently, SPVBz (1.5 g, 0.0066 mol) was introduced into each flask, followed by the addition of acetone (10 mL) and a reaction period of 6 hours at 50 °C.
· The resulting mixtures were then dried in a vacuum drying oven at 50 °C for 48 hours, leading to the successful synthesis of three novel quaternary ammonium-based PILs, namely tetradecyl dimethyl benzyl ammonium sulfonated poly(vinyl benzoate) (TDBAS), hexadecyl dimethyl benzyl ammonium sulfonated poly(vinyl benzoate) (HDBAS), and stearyl dimethyl benzyl ammonium sulfonated poly(vinyl benzoate) (SDBAS).

Custom Reviews

August 12, 2023

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Thickening agent
A small amount of stearyldimethylbenzylammonium chloride can thicken the corresponding liquid material and obtain better performance.

Custom Q&A

What is the chemical formula of stearyldimethylbenzylammonium chloride?

The chemical formula of stearyldimethylbenzylammonium chloride is C27H50ClN.

What is the color and shape of stearyldimethylbenzylammonium chloride?

Stearyldimethylbenzylammonium chloride is a light yellow or colorless viscous paste, which can be dissolved in water, acid, hard water and inorganic salt solution and is not alkali-resistant.

What is the density and melting point of stearyldimethylbenzylammonium chloride?

Stearyldimethylbenzylammonium chloride has a density of about 0.98 g/mL and a melting point of about 54-56℃.

What are the boiling point and vapor pressure of stearyldimethylbenzylammonium chloride?

The boiling point of stearyldimethylbenzylammonium chloride is about 300℃, and the vapor pressure is 0 Pa at 25℃.

What is the main application field of stearyldimethylbenzylammonium chloride?

Stearyldimethylbenzylammonium chloride is mainly used as an antistatic agent, surfactant and preservative, which can improve the antistatic properties of fibers, plastics, rubber and other materials, increase the cleaning, lubricating and softening effects of products such as detergents, conditioners and skin care products, and inhibit the growth and reproduction of microorganisms such as bacteria, fungi and algae.

What is the mechanism of action of stearyldimethylbenzylammonium chloride?

The mechanism of action of stearyldimethylbenzylammonium chloride is mainly through adsorption or electrostatic interaction between its cationic head group and negatively charged surface or microorganism, thus changing its charge distribution or destroying its structure and function.

What are the advantages of stearyldimethylbenzylammonium chloride?

Stearyldimethylbenzylammonium chloride has the advantages of strong antistatic, surface activity and anti-corrosion effect, can be applied to a variety of materials and products, and also has low toxicity and irritation, which is not easy to cause harm to the environment and human body.

What are the storage conditions of stearyldimethylbenzylammonium chloride?

Stearyldimethylbenzylammonium chloride needs to be stored in a cool and dry place, away from light sources, heat sources and fire sources, and avoid contact with strong oxidants, strong acids, strong bases and other substances.

What effect does stearyldimethylbenzylammonium chloride have on human body and environment?

Stearyldimethylbenzylammonium chloride has low toxicity and irritation, and is not easy to cause harm to human body.

What are the transportation conditions of stearyldimethylbenzylammonium chloride?

Stearyldimethylbenzylammonium chloride transport according to non-dangerous goods, pay attention to moisture-proof, shock-proof and sun-proof, and avoid mixing with food and drinks.