Methyl trioctyl ammonium chloride CAS 5137-55-3
Introduction：Basic information about Methyl trioctyl ammonium chloride CAS 5137-55-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Methyl trioctyl ammonium chloride Basic informationDescription Reference
| Product Name: | Methyl trioctyl ammonium chloride |
| Synonyms: | TRICAPRYLMETHYLAMMONIUM CHLORIDE;TRICAPRYLYLMETHYLAMMONIUM CHLORIDE;TRICAPRYLYL MONOMETHYLAMMONIUM CHLORIDE;TRI-N-OCTYLMETHYLAMMONIUM CHLORIDE;TRIOCTYLMETHYLAMMONIUM CHLORIDE;TOMAC;TricapryL;CAPRIQUAT |
| CAS: | 5137-55-3 |
| MF: | C25H54N.Cl |
| MW: | 404.16 |
| EINECS: | 225-896-2 |
| Product Categories: | organic intermediates;Quaternary ammonium salt;Industrial/Fine Chemicals;Ammonium Chlorides (Quaternary);Quaternary Ammonium Compounds;Ionic liquid |
| Mol File: | 5137-55-3.mol |
Methyl trioctyl ammonium chloride Chemical Properties
| Melting point | -20°C |
| Boiling point | 240°C |
| density | 0.884 g/mL at 25 °C(lit.) |
| vapor pressure | 0Pa at 25℃ |
| refractive index | n |
| Fp | >230 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | soluble in Chloroform, Hexanes |
| form | Viscous Liquid |
| color | Colourless to pale orange |
| Odor | Ammonical |
| Water Solubility | Partially insoluble |
| Sensitive | Hygroscopic |
| BRN | 4039255 |
| Stability: | Stable. Incompatible wth strong oxidizing agents. Hygroscopic. |
| InChI | 1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1 |
| InChIKey | XKBGEWXEAPTVCK-UHFFFAOYSA-M |
| SMILES | [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC |
| LogP | 4.5 at 25℃ |
| CAS DataBase Reference | 5137-55-3(CAS DataBase Reference) |
| EPA Substance Registry System | Methyltrioctylammonium chloride (5137-55-3) |
Safety Information
| Hazard Codes | Xn,N,C |
| Risk Statements | 22-38-41-50/53-36/37/38-20/21/22-34 |
| Safety Statements | 26-39-60-61-36-45-36/37/39 |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | UZ2997500 |
| F | 3-10 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29239000 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Repr. 1B Skin Corr. 1A STOT RE 2 |
| Description | Methyltrioctylammonium chloride is a water insoluble quaternary ammonium salt, which is widely used as a counter ion in solvent extraction of anionic metal complexes. It is widely used as a phase transfer catalyst for the catalytic oxidation of cyclohexene to 1,6-hexanedioic acid. In comparison to traditional method of oxidizing cyclohexanol or cyclohexanone with nitric acid or potassium permanganate, the usage of methyltrioctylammonium chloride is a more environmentally friendly reaction. |
| Reference | N. Pourreza, H. Zavvar Mousavi, Determination of cadmium by flame atomic absorption spectrometry after preconcentration on naphthalene– methyltrioctylammonium chloride adsorbent as tetraiodocadmate (II) ions, Analytica Chimica Acta, 2004, vol. 503, pp. 279-282 |
| Chemical Properties | viscous colourless to pale orange liquid |
| Uses | Methyltrioctylammonium chloride can be used:
|
| Uses | Mixture of C8 and C10 chains with C8 predominating. Used as a metal extraction reagent and a phase-transfer catalyst. |
| Definition | ChEBI: An organic chloride salt having methyltrioctylammonium as the cation. |
| Flammability and Explosibility | Not classified |
| Safety Profile | Poison by ingestion andintraperitoneal routes. When heated todecomposition it emits very toxic fumes ofNOx, NH3, and Cl-. |
| Synthesis | Weigh 1000g of trioctylamine in a beaker, add concentrated hydrochloric acid drop by drop (HCl added about 103g), magnetic stirring, neutralization reaction after the end of a constant temperature water bath evaporation to remove about 80% of the water, and then vacuum drying to get the product of trioctylammonium chloride; were weighed 1,000g of trioctylammonium chloride and 235g of dimethyl carbonate, in turn, added to the 10L kettle, nitrogen purge to drive away the air inside the kettle, the reaction temperature 170 ??, the reaction time of 8 hours; the end of the reaction to produce methyl trioctylammonium chloride of about 1026g. After purging with nitrogen to drive out the air inside the kettle, the reaction was carried out in closed condition at a reaction temperature of 170 ??, and the stirring was started after the reaction temperature reached 170 ??, and the reaction time was 8 hours; at the end of the reaction, about 1026g of methyltrioctylammonium chloride was produced. |
| Purification Methods | A 30% (v/v) of Aliquat 336 solution in *benzene is washed twice with an equal volume of 1.5M HBr. [Petrow & Allen, Anal Chem 33 1303 1961.] It is purified by dissolving 50g in CHCl3 (100mL) and shaking with 20% NaOH solution (200mL) for 10minutes, and followed by 20% NaCl (200mL) for 10minutes. It is then washed with a small volume of H2O and filtered through a dry filter paper [Adam & Pribil Talanta 18 733 1971]. n-Alkylammonium chloride n=2,4,6. Recrystallise them from EtOH or an EtOH/Et2O mixture. [Hashimoto & Thomas J Am Chem Soc 107 4655 1985, Chu & Thomas J Am Chem Soc 108 6270 1986.] n-Alkyltrimethylammonium bromide n=10,12,16. Recrystallise them from an EtOH/Et2O mixture. [Hashimoto & Thomas J Am Chem Soc 107 4655 1985.] |
Methyl trioctyl ammonium chloride Preparation Products And Raw materials
| Preparation Products | (5-BROMOTHIOPHEN-3-YL)METHANESULFONYL CHLORIDE-->3-NITROPHENYLMETHANESULFONYL CHLORIDE-->4-Chlorobenzylsulfonyl chloride-->(4-BROMOTHIOPHEN-2-YL)METHANESULFONYL CHLORIDE-->1,3-Dimethyl-2-imidazolidinone-->6-BENZYLOXYPURINE-->3-Chloro-4-fluoronitrobenzene-->Benzophenone-->(2-CHLORO-PHENYL)-METHANESULFONYL CHLORIDE-->METHYLTRIOCTYLAMMONIUM 2-MERCAPTOBENZOATE |
