Benzyldodecyldimethylammonium bromide

Base Information

• Chemical Name: Benzyldodecyldimethylammonium bromide
• CAS No.: 7281-04-1
• Molecular Formula: C21H38BrN
• Molecular Weight: 384.443
• Hs Code.: 2923900090
• European Community (EC) Number: 230-698-4,293-522-5
• UNII: IRY12B2TQ6
• DSSTox Substance ID: DTXSID4048698
• Wikipedia: Benzododecinium_bromide
• Wikidata: Q4890794
• NCI Thesaurus Code: C76255
• RXCUI: 1311594
• ChEMBL ID: CHEMBL2355417
• Mol file: 7281-04-1.mol

Synonyms:ADB-12;Ajatin;benzododecinium;benzyl dimethyl dodecyl ammonium;benzyldimethyldodecylammonium bromide;benzyldodecyldimethylammonium chloride;BZK-C12;dimethyldodecylbenzylammonium;dimethyldodecylbenzylammonium bromide;dimethyldodecylbenzylammonium chloride;dimethyldodecylbenzylammonium maleate (2:1);dimethyldodecylbenzylammonium nitrate;dodecyldimethylbenzylammonium chloride;Sterinol

Chemical Property of Benzyldodecyldimethylammonium bromide

Chemical Property:

• Melting Point: 50-55 °C
• Flash Point: 110°C
• PSA: 0.00000
• LogP: 3.18790
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble0.1g/10 mL, clear, colorless to very faintly yellow
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 383.21876
• Heavy Atom Count: 23
• Complexity: 240

Purity/Quality:

98% ^*data from raw suppliers

Benzyldodecyldimethylammonium Bromide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
• Uses: Benzyldodecyldimethylammonium bromide has been used in a study to assess the relation between chemical structure and germicidal efficacy in surface-active cations. It has also been used in a study to investigate pore size control during the synthesis of macroporous thermosensitive poly(N-isopropylacrylamide) hydrogels. Benzalkonium bromides are an important class of cationic surfactants. They are used as preservatives for ophthalmic, nasal and parenteral products and they are also used as a topical antiseptic and medical equipment disinfectant.

Technology Process of Benzyldodecyldimethylammonium bromide

There total 2 articles about Benzyldodecyldimethylammonium 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: 80.0%

N,N'-dimethylbenzylamine (103-83-3) + 1-dodecylbromide (143-15-7) → ajatin (7281-04-1)

Guidance literature:

In ethanol; for 28h; Heating;

DOI:10.3390/12102341

Reference yield:

N,N-dimethylaminododecane (112-18-5,83855-86-1) + benzyl bromide (100-39-0) → ajatin (7281-04-1)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/j100364a065

Reference yield: 93.0%

Bis(2-ethylhexyl)phosphoric acid (298-07-7) + ajatin (7281-04-1) → benzyldimethyldodecylammonium di (2-ethylhexyl)phosphate

Guidance literature:

With sodium carbonate; In water; at 25 ℃; for 24h; Inert atmosphere;

upstream raw materials:

N,N'-dimethylbenzylamine

1-dodecylbromide

N,N-dimethylaminododecane

benzyl bromide

Refernces

• 1、 Jada, A.,Lang, J.,Zana, R.. "Ternary Water in Oil Microemulsions Made of Cationic Surfactants, Water, and Aromatic Solvents. 1. Water Solubility Studies". . p. 381 - 387. Retrieved 2007/10/02.