1120-02-1

Basic information

• Product Name: Octadecy trimethyl ammonium bromide
• Synonyms: Octedecyl trimethyl ammonium bromide;Stearyltrimethylaminium·bromide;Trimethyl(octadecyl)aminium·bromide;1-Octadecanaminium, N,N,N-trimethyl-, bromide;1-Octadecanaminium, N,N,N-trimethyl-, bromide (1:1);Einecs 214-294-5;Trimethyloctadecylammonium bromide,Octadecyltrimethylammonium bromide;Stearyl Trimethyl Am
• CAS NO: 1120-02-1
• Molecular Formula: Br*C₂₁H₄₆N
• Molecular Weight: 392.5
• EINECS: 214-294-5
• Product Categories: Quaternary Ammonium Compounds;Aliphatics;Ammonium Bromides (Quaternary)
• Mol File: 1120-02-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: ~250 °C (dec.)(lit.)
• Boiling Point: 543.31℃[at 101 325 Pa]
• Appearance: white powder
• Vapor Pressure: 0Pa at 25℃
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility: soluble
• Stability: Stable. Hygroscopic. Incompatible with strong oxidizing agents. Protect from moisture.
• BRN: 3574090
• CAS DataBase Reference: Octadecy trimethyl ammonium bromide(CAS DataBase Reference)
• NIST Chemistry Reference: Octadecy trimethyl ammonium bromide(1120-02-1)
• EPA Substance Registry System: Octadecy trimethyl ammonium bromide(1120-02-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 1120-02-1(Hazardous Substances Data)

Usage

Chemical Properties

white powder

Uses

Different sources of media describe the Uses of 1120-02-1 differently. You can refer to the following data:
1. A Dynamin I inhibitor.
2. Trimethyloctadecylammonium bromide (C18TAB) is generally used as a surfactant. It can be used in the preparation of polyoxomolybdate-surfactant hybrid layered crystals. It can also be used as a surface modifier in the liquid chromatography.

Flammability and Explosibility

Notclassified

Purification Methods

Crystallise it from EtOH or H2O (solubility is 1 in 1000parts). It is very soluble in Me2CO. It is a bactericide. [Sheldon et al. J Am Chem Soc 68 754 1946, Grieger & Kraus J Am Chem Soc 70 3805, 38007, Beilstein 4 IV 827.]

InChI:InChI=1/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1

Upstream product

• 112-89-0 1-Bromooctadecane 
• 75-50-3 trimethylamine 

Relevant articles and documents

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Odd-even effect and unusual behavior of dodecyl-substituted analogue observed in the crystal structure of alkyltrimethylammonium-[Ni(dmit) 2]- salts

A series of [Ni(dmit)2]- (dmit: 1,3-dithiole-2- thione-4,5-dithiolato) salts of alkyltrimethylammonium (Cn: n represents the alkyl chain length; n = 3 and 518) have been prepared and analyzed by X-ray structural analysis. All complex salts have been found to be composed of alternate sheets of [Ni(dmit)2]- anions and sheets of cations with a pronounced interdigitation of the alkyl chains. However, molecular arrangement differed between (C3)[Ni(dmit)2] and other (Cn)[Ni(dmit)2] (n = 518). Adjacent cations were aligned along the long axis of [Ni(dmit)2]- anion in C3 complex salt, while in others (C5-C18 complex salts), they were aligned toward the short axis. Such a difference in arrangement arose from correlativity between the lengths of the long axis of cation and anion, namely CLCA. Furthermore, relative orientation between the alkyl chain of cation and [Ni(dmit)2]- anion differed between the odd- and even-numbered cations for C10-C18. Whereas the plane of alkyl chain for odd-numbered cation was normal to the plane of [Ni(dmit)2]- anion, that of even-numbered cation was parallel. It was also found that C12 analog behaved like odd-numbered cations. However, in C12 salt, the end methyl group of the dodecyl group adopted unusual end-gauche conformation.

Anticalculus composition

This invention relates to an improved composition for inhibiting dental plaque and calculus formation, comprising zinc ions and a non-toxic, organoleptically acceptable antibacterial agent in an orally acceptable medium, and to a process for retarding the growth of dental plaque and calculus by application to the teeth of the above composition.