Stearyldimethylbenzylammonium chloride

Base Information

• Chemical Name: Stearyldimethylbenzylammonium chloride
• CAS No.: 122-19-0
• Deprecated CAS: 37243-60-0,60650-76-2,89004-38-6,60650-76-2,89004-38-6
• Molecular Formula: C27H50ClN
• Molecular Weight: 424.154
• Hs Code.: DERIVATION
• European Community (EC) Number: 204-527-9
• NSC Number: 20199
• UN Number: 2811
• UNII: 0OUO26BB88
• DSSTox Substance ID: DTXSID2025139
• Wikipedia: Stearalkonium_chloride
• Wikidata: Q7605501
• NCI Thesaurus Code: C77507
• RXCUI: 1310555
• ChEMBL ID: CHEMBL118663
• Mol file: 122-19-0.mol

Synonyms:dimethyloctadecylbenzylammonium chloride;N,N-dimethyl-N-octadecylbenzylammonium;N,N-dimethyl-N-octadecylbenzylammonium bromide;N,N-dimethyl-N-octadecylbenzylammonium chloride;ODMBA compound

Chemical Property of Stearyldimethylbenzylammonium chloride

Chemical Property:

• Appearance/Colour: White solid or thick liquid with a mild odor
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 54-56oC
• Boiling Point: 100oC
• Flash Point: 94oC
• PSA: 0.00000
• Density: 0.98 g/cm³
• LogP: 5.52850
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 4000 G/L (20 ºC)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 19
• Exact Mass: 423.3631783
• Heavy Atom Count: 29
• Complexity: 316
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

2B- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N
• Hazard Codes: C,N
• Statements: 22-38-41-50-34-21/22
• Safety Statements: 26-36/37/39-61-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• Recent ClinicalTrials: A Pharmacokinetic (PK) and Pharmacodynamic (PD) Dose-ranging Phase II Study of Ticagrelor in Paediatric Patients With Sickle Cell Disease
• Uses: Stearyldimethylbenzylammonium chloride is a compound used in products for promoting skin cleanliness and health. It is used in hair care formulations, as a hair conditioner and cream rinse. Stearyldimethylbenzylammonium chloride is an anti-static that can also be used as a surfactant and/or a preservative depending on formulatory requirements.

Technology Process of Stearyldimethylbenzylammonium chloride

There total 4 articles about Stearyldimethylbenzylammonium 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:

N,N-dimethyl-n-octadecylamine (124-28-7) + benzyl chloride (100-44-7) → benzalkonium chloride (122-19-0)

Guidance literature:

Reference yield:

1-octadecanol (112-92-5) → benzalkonium chloride (122-19-0)

Guidance literature:

Multi-step reaction with 3 steps

1: zinc chloride, hydrogen chloride / 140 °C

2: H₂O / 140 - 150 °C

3: H₂O / 60 - 65 °C

With hydrogenchloride; zinc(II) chloride; In water;

DOI:10.1007/BF00779905

Reference yield:

1-chlorooctadecane (3386-33-2) → benzalkonium chloride (122-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O / 140 - 150 °C

2: H₂O / 60 - 65 °C

In water;

DOI:10.1007/BF00779905

upstream raw materials:

N,N-dimethyl-n-octadecylamine

benzyl chloride

1-octadecanol

1-chlorooctadecane

Downstream raw materials:

N,N-Dimethyl-N-sulfobenzyl-N-octadecylammonium

Refernces

• 1、 -. "ACTIVE DELIVERY SYSTEMS FORMULATIONS". . . Retrieved 2010/03/04.
• 2、 Campanac,Pineau,Payard,Baziard-Mouysset,Roques. "Interactions between biocide cationic agents and bacterial biofilms". . p. 1469 - 1474. Retrieved 2007/10/03.