Cetylpyridinium Chloride

Base Information

• Chemical Name: Cetylpyridinium Chloride
• CAS No.: 123-03-5
• Deprecated CAS: 136499-13-3,27841-61-8,951742-58-8,50958-35-5,2266591-56-2,27841-61-8,951742-58-8
• Molecular Formula: C21H38ClN
• Molecular Weight: 339.992
• Hs Code.: 2933399090
• European Community (EC) Number: 204-593-9
• NSC Number: 756673,14864
• UNII: 6BR7T22E2S
• DSSTox Substance ID: DTXSID6041761
• Wikipedia: Cetylpyridinium_chloride
• Wikidata: Q418318
• NCI Thesaurus Code: C87258
• RXCUI: 1311527
• ChEMBL ID: CHEMBL34833
• Mol file: 123-03-5.mol

Synonyms:cerigel;tserigel

Chemical Property of Cetylpyridinium Chloride

Chemical Property:

• Appearance/Colour: white powder or crystals
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 77 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 496.25°C (rough estimate)
• PSA: 3.88000
• Density: 0.9362 (rough estimate)
• LogP: 3.45940
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Freely soluble in water; very soluble in chloroform; very slightly soluble in ether; insoluble in acetone, acetic acid, and ethanol.
• Water Solubility.: 111g/L at 20℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 339.2692779
• Heavy Atom Count: 23
• Complexity: 208

Purity/Quality:

99%min ^*data from raw suppliers

Cetylpyridinium chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
• Recent ClinicalTrials: Oral Hygiene and Maternity Outcomes Multicenter Study (OHMOM)
• Recent EU Clinical Trials: A COMPARISON OF THERAPEUTIC EQUIVALENCE BETWEEN THE TEST AND THE REFERENCE FORMULATION OF FIXED COMBINATION OF CETYLPYRIDINIUM CHLORIDE 1.0 mg/BENZYDAMINE HYDROCHLORIDE 3 mg IN SUBJECTS WITH SORE THROAT ASSOCIATED WITH UPPER RESPIRATORY TRACT INFECTIONS
• Recent NIPH Clinical Trials: An exploratory research of the effects of comprehensive oral care, including antibiotics on the tongue, in patients who underwent resection and reconstruction of oral cancer
• Description: Cetylpyridinium is a quaternary ammonium with broad-spectrum antiseptic activities. It is active against S. mutans, S. sanguis, E. coli, Oxford Staphylococcus, and C. albicans in media (MICs = 1.25-62.5 μg/ml) and against Oxford Staphylococcus in pooled human saliva (MICs = 7.8-15.6 μg/ml). Cetylpyridinium slows plaque formation for at least 21 days compared to a deionized water control in a rat incisor plaque model when applied topically at concentrations ranging from 0.025 to 2%. Formulations containing cetylpyridinium have been used as antiseptic agents in the treatment of gingivitis and as antimicrobial agents in raw food processing.
• Uses: Antibacterial in cough lozenges and syrups; emulsifier. quaternary ammonium compound used as a preservative in cosmetics and pharmaceuticals; topical anti-infective and disinfectant; used on the surface of latex gloves .
• Clinical Use: 1-Hexadecylpyridinium chloride is a white powder that isvery soluble in water and alcohol. In this compound, thequaternary nitrogen atom is a member of an aromatic pyridinering.The cetyl derivative is the most active of a series ofalkylpyridinium compounds. It is used as a general antisepticin concentrations of 1:100 to 1:1,000 for intact skin,1:1,000 for minor lacerations, and 1:2,000 to 1:10,000 forthe irrigation of mucous membranes. Cetylpyridinium chlorideis also available in the form of throat lozenges and amouthwash at a 1:20,000 dilution.

Technology Process of Cetylpyridinium Chloride

There total 5 articles about Cetylpyridinium Chloride 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:

4-(4-Dimethylamino-phenylazo)-benzenesulfonate1-hexadecyl-pyridinium; → cetylpyridinium chloride (123-03-5) + methyl orange (547-58-0)

Guidance literature:

With sodium chloride; at 19.9 ℃; Equilibrium constant; var. temps.;

DOI:10.1246/bcsj.66.2457

Reference yield:

pyridine (110-86-1) + 1-Chlorohexadecan (4860-03-1) → cetylpyridinium chloride (123-03-5)

Guidance literature:

DOI:10.1039/jr9380000682 DOI:10.1002/hlca.19380210135

Reference yield:

pyridine (110-86-1) + hexadecanyl bromide (112-82-3) → cetylpyridinium chloride (123-03-5)

Guidance literature:

In water; at 95 - 102 ℃; for 30h;

upstream raw materials:

pyridine

1-Chlorohexadecan

hexadecyl dichlorophosphinate

hexadecanyl bromide

Downstream raw materials:

1-hexadecylpyridinium (4-chloro-2-methylphenoxy)acetate

1-hexadecylpyridinium cyclamate

N-cetylpyridinium picrate

cethylpyridinium acetylsalicylate

Refernces

• 1、 -. "AN IMPROVED PROCESS FOR PREPARATION OF QUATERNARY PYRIDINIUM SALTS". Page/Page column 10; 11. . Retrieved 2019/08/08.
• 2、 -. "STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES". . . Retrieved 2015/02/25.