Dodecyltrimethylammonium chloride

Base Information

• Chemical Name: Dodecyltrimethylammonium chloride
• CAS No.: 112-00-5
• Deprecated CAS: 108779-79-9,37293-08-6,37380-56-6,59680-23-8,62395-69-1,71061-07-9,1392044-09-5,769136-50-7,1392044-09-5,37293-08-6,37380-56-6,59680-23-8,62395-69-1,71061-07-9,769136-50-7
• Molecular Formula: C15H34N^.Cl
• Molecular Weight: 263.895
• Hs Code.: 29239000
• European Community (EC) Number: 203-927-0
• NSC Number: 6931
• UNII: A81MSI0FIC
• DSSTox Substance ID: DTXSID1026900
• Wikidata: Q27273748
• RXCUI: 1427082
• ChEMBL ID: CHEMBL1884887
• Mol file: 112-00-5.mol

Synonyms:1-dodecanaminium, N,N,N-trimethyl-, bromide;ammonium, dodecyltrimethyl-, chloride;ammonium, dodecyltrimethyl-,bromide;C(12)TAC;C12QAC;C12TAC;dodecyl trimethyl ammonium chloride;dodecyl trimethylammonium chloride;dodecyltrimethylammonium;dodecyltrimethylammonium bromide;dodecyltrimethylammonium chloride;dodecyltrimethylammonium chromate (2:1);dodecyltrimethylammonium ethyl sulfate;dodecyltrimethylammonium hydroxide;dodecyltrimethylammonium iodide;dodecyltrimethylammonium maleate (2:1);dodecyltrimethylammonium methyl sulfate salt;dodecyltrimethylammonium perchlorate;dodecyltrimethylammonium sulfate (2:1);dodecyltrimethylammonium sulfide (2:1);dodecyltrimethylammonium thiomolybdate salt hydrate;DoTAC compound;DTMACl cpd;laurtrimonium;laurtrimonium bromide;laurtrimonium chloride;lauryl trimethyl ammonium chloride;lauryltrimethylammonium bromide;lauryltrimethylammonium chloride;monolauryltrimethylammonium chloride;N,N,N-trimethyl-1-dodecanaminium chloride;n-dodecyl triethylammonium bromide;n-dodecyltrimethylammonium;n-dodecyltrimethylammonium chloride

Chemical Property of Dodecyltrimethylammonium chloride

Chemical Property:

• Appearance/Colour: Light yellow liquid
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 237 ºC
• Refractive Index: n20/D 1.426
• Boiling Point: 412.12°C (rough estimate)
• Flash Point: 19°C
• PSA: 0.00000
• Density: 0.9265 (rough estimate)
• LogP: 1.61750
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: H2O: 50 mg/mL, clear, colorless
• Water Solubility.: Soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 263.2379778
• Heavy Atom Count: 17
• Complexity: 135

Purity/Quality:

90% ^*data from raw suppliers

Dodecyltrimethylammonium chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xi,N,Xn,F
• Statements: 36/37/38-50-50/53-22-67-11
• Safety Statements: 26-61-60-37/39-36-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• Uses: Dodecyltrimethylammonium chloride belongs to quaternary ammonium salts,it is useful as paint strippers, foaming stabilizers, and bactericidal lotions. Dodecyltrimethylammonium Chloride is useful as a paint stripper, a foaming stabilizer, and a bactericidal lotion. It is used in coating, plastics, paints, rubber and ink production, as anti-static agent, catalyst.

Technology Process of Dodecyltrimethylammonium chloride

There total 8 articles about Dodecyltrimethylammonium 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: 49.0%

1-chlorododecane (112-52-7) + trimethylamine (75-50-3) → trimethyldodecylammonium chloride (112-00-5,71061-07-9)

Guidance literature:

In methanol; ethanol; for 24h; Heating;

DOI:10.1021/ja00336a034

Reference yield:

dodecylammonium chloride (929-73-7) + carbonic acid dimethyl ester (616-38-6) → trimethyldodecylammonium chloride (112-00-5,71061-07-9)

Guidance literature:

With 1-ethyl-3-methylimidazolium bromide; at 169.84 ℃; for 8h;

DOI:10.1002/adsc.200600451

Reference yield:

methylene chloride (74-87-3) + N,N-dimethylaminododecane (112-18-5,83855-86-1) → trimethyldodecylammonium chloride (112-00-5,71061-07-9)

Guidance literature:

With pentane; at 60 ℃;

upstream raw materials:

methylene chloride

N,N-dimethylaminododecane

ethanol

1-chlorododecane

Downstream raw materials:

3-Methyl-2-nitrobenzotrichloride

Decan-2-one

Refernces

• 1、 Yanagihara, Ryoji,Katoh, Masaki,Hanyuu, Masayuki,Miyazawa, Toshifumi,Yamada, Takashi. "Recognition of quaternary ammonium salts with tetrapeptides containing α-aminoisobutyric acid as a conformational constraint". . p. 551 - 556. Retrieved 2007/10/03.
• 2、 Moss, Robert A.,Chiang, Yuan-Ching P.,Hui, Yongzheng. "Origins of Micellar Diastereoselectivity". . p. 7506 - 7513. Retrieved 2007/10/02.