Ethylhexadecyldimethylammonium bromide

Base Information

• Chemical Name: Ethylhexadecyldimethylammonium bromide
• CAS No.: 124-03-8
• Molecular Formula: C20H44BrN
• Molecular Weight: 378.48
• Hs Code.: 29239000
• European Community (EC) Number: 204-672-8
• NSC Number: 8494
• UNII: 7ZNQ7FIO9K
• DSSTox Substance ID: DTXSID2041759
• Wikidata: Q27269081
• RXCUI: 1427238
• ChEMBL ID: CHEMBL1375045
• Mol file: 124-03-8.mol

Synonyms:cetyldimethylethylammonium;cetyldimethylethylammonium bromide

Chemical Property of Ethylhexadecyldimethylammonium bromide

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 190 °C
• Refractive Index: 1.5260 (estimate)
• Flash Point: 93 °C
• PSA: 0.00000
• Density: 1.1003 (rough estimate)
• LogP: 3.56800
• Storage Temp.: 2-8°C
• Solubility.: H2O: 0.1 g/mL, clear, colorless
• Water Solubility.: 200 G/L (20 ºC)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 377.26571
• Heavy Atom Count: 22
• Complexity: 198

Purity/Quality:

98%, ^*data from raw suppliers

Ethylhexadecyldimethylammonium Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/38-36/37/38-20/21/22
• Safety Statements: 26-36-36/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
• Uses: Disinfectant; laboratory reagent. Ethylhexadecyldimethylammonium bromide is a long chain ammonium surfactant. Ethylhexadecyldimethylammonium bromide has been used in a study to assess variables affecting the foam separation of Escherichia coli.

Technology Process of Ethylhexadecyldimethylammonium bromide

There total 3 articles about Ethylhexadecyldimethylammonium bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

ethyl bromide (74-96-4) + N,N-dimethylhexadecylamine (112-69-6) → hexadecyldimethylethylammonium bromide (124-03-8)

Guidance literature:

In acetonitrile; for 10h; Heating;

Reference yield:

N,N-dimethyl-ethanamine (598-56-1) + hexadecanyl bromide (112-82-3) → hexadecyldimethylethylammonium bromide (124-03-8)

Guidance literature:

at 70 ℃; for 72h;

DOI:10.1039/c8gc00801a

Reference yield:

ethyl bromide (74-96-4) + N,N-dimethylhexadecylamine (112-69-6) + N,N-dimethyl-n-octadecylamine (124-28-7) + N,N-dimethyl-(12S,13R)-epoxy-cis-9-octadecenyl amine (1323108-61-7) + N,N-dimethyl-N-oleylamine (14727-68-5) → oleyl dimethylethylammonium bromide (14351-44-1,6458-13-5) + Br(1-)*C22H48N(1+) (111-98-8) + N,N,N-ethyl-dimethyl-(12S,13R)-epoxy-cis-9-octadecenyl ammonium bromide (1323108-68-4) + hexadecyldimethylethylammonium bromide (124-03-8)

Guidance literature:

In ethanol; for 28h; Reflux;

DOI:10.1007/s11746-011-1808-x

upstream raw materials:

ethyl bromide

N,N-dimethylhexadecylamine

N,N-dimethyl-n-octadecylamine

N,N-dimethyl-(12S,13R)-epoxy-cis-9-octadecenyl amine

Downstream raw materials:

2,6-bis(cyanomethyl)anisole

Refernces

• 1、 Pei, Xiaoyan,Xiong, Dazhen,Pei, Yuanchao,Wang, Huiyong,Wang, Jianji. "Switchable oil-water phase separation of ionic liquid-based microemulsions by CO2". . p. 4236 - 4244. Retrieved 2018.
• 2、 Schiefer, H.,Beger, J.,Lorenz, U.. "Two-Phase Reaction of 1-Bromooctane with Sodium Acetate and Potassium Acetate Catalyzed by Diquaternary Ammonium Salts". . p. 383 - 398. Retrieved 2007/10/02.