Benzyldimethyldecylammonium chloride

Base Information

• Chemical Name: Benzyldimethyldecylammonium chloride
• CAS No.: 965-32-2
• Deprecated CAS: 1427499-24-8,50957-62-5,51004-71-8,51668-62-3,69344-71-4
• Molecular Formula: C19H34 N . Cl
• Molecular Weight: 311.939
• Hs Code.: 2923900090
• European Community (EC) Number: 264-151-6,213-521-5
• ICSC Number: 1584
• UN Number: 3267,2928
• DSSTox Substance ID: DTXSID7040780
• ChEMBL ID: CHEMBL1878297
• Mol file: 965-32-2.mol

Synonyms:Benzyldimethyldecylammonium chloride;63449-41-2;965-32-2;Roccal;BENZYLDECYLDIMETHYLAMMONIUM CHLORIDE;benzyl-decyl-dimethylazanium;chloride;Tret-O-lite XC 511;CCRIS 4586;Benzenemethanaminium, N-decyl-N,N-dimethyl-, chloride;C8-18-Alkydimethylbenzyl ammonium chlorides;EINECS 264-151-6;EINECS 213-521-5;Benzalkonium chloride, 50% in water;Benzyl(decyl)dimethylammonium chloride;N-Capryl-N,N-dimethylbenzylammonium chloride;Benzenemethanaminium, N-decyl-N,N-dimethyl-, chloride (1:1);SCHEMBL29243;CHEMBL1878297;DTXSID7040780;decyldimethylbenzylammonium chloride;decyldimethylbenzyl ammonium chloride;NCGC00164244-01;BENZYL(DECYL)DIMETHYLAZANIUM CHLORIDE;FT-0629866;N-Benzyl-N-decyl-N,N-dimethylammonium chloride;Compuestos de amonio cuaternario, bencil-c8-18-alquildimetil, cloruros

Chemical Property of Benzyldimethyldecylammonium chloride

Chemical Property:

• Melting Point: 50-60 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 2.40770
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 311.2379778
• Heavy Atom Count: 21
• Complexity: 216
• Transport DOT Label: Corrosive

Purity/Quality:

98%,99%, ^*data from raw suppliers

BenzyldecyldimethylammoniumChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• Recent EU Clinical Trials: A randomised, placebo-controlled trial to investigate the effectiveness of an antimicrobial product in the elimination of Staphylococcus aureus colonisation from the anterior nares of adult subjects with atopic eczema. A proof of concept study (the NASSAELIM pilot).
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. If a solution is swallowed, aspiration into the lungs may result in chemical pneumonitis.
• Uses: Benzyldimethyldecylammonium chloride may be used as an analytical reference standard for the determination of the analyte in grapefruit seed extracts, milk samples and food products by chromatography based techniques. Benzyldecyldimethylammonium Chloride is a biocide.

Technology Process of Benzyldimethyldecylammonium chloride

There total 3 articles about Benzyldimethyldecylammonium 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-dimethyldecylamine (1120-24-7) + benzyl chloride (100-44-7) → N-benzyl-N-decyl-N,N-dimethylammonium chloride (965-32-2)

Guidance literature:

In water; at 60 - 65 ℃;

DOI:10.1007/BF00779905

Reference yield:

1-Decanol (112-30-1) → N-benzyl-N-decyl-N,N-dimethylammonium chloride (965-32-2)

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:

decyl chloride (1002-69-3) → N-benzyl-N-decyl-N,N-dimethylammonium chloride (965-32-2)

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-dimethyldecylamine

benzyl chloride

1-Decanol

decyl chloride

Downstream raw materials:

bis(benzyldimethyldecylazaniumyl)tetrachloroplatinumdiuide

Refernces

• 1、 -. "Synthetic method of aryl sulphobetaine in solvent-free system". Paragraph 0039; 0040; 0054; 0055. . Retrieved 2017/04/03.
• 2、 Avram, Ecaterina. "Quaternization reaction of some N,N-dimethylalkylamines with benzyl chloride". . p. 49 - 53. Retrieved 2007/10/03.