Description

Methyltricaprylylammonium bisulfate (CAS No. 59158-14-4) is a quaternary ammonium salt with the molecular formula C₂₅H₅₅NO₄S. This high-purity ionic liquid is widely used as a phase-transfer catalyst (PTC) and surfactant in organic synthesis and industrial applications. Its IUPAC name, hydrogen sulfate;methyl(trioctyl)azanium, reflects its structure as a methyltrioctylammonium cation paired with a bisulfate anion. The compound exhibits excellent solubility in organic solvents, making it ideal for biphasic reactions. Available in various packaging options, our product is rigorously tested for consistency, ensuring optimal performance in catalysis, extraction, and electrochemical applications.

Properties

• CAS Number: 59158-14-4
• Complexity: 296
• IUPAC Name: hydrogen sulfate;methyl(trioctyl)ammonium
• InChI: InChI=1S/C25H54N.H2O4S/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;1-5(2,3)4/h5-25H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
• InChI Key: MWSPFHZPVVWJCO-UHFFFAOYSA-M
• Exact Mass: 465.38518041
• Molecular Formula: C25H55NO4S
• Molecular Weight: 465.8
• SMILES: CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.OS(=O)(=O)[O-]
• Topological: 85.8
• Monoisotopic Mass: 465.38518041
• Synonyms: 59158-14-4, Methyltrioctylammonium hydrogen sulfate, Methyltricaprylylammonium bisulfate, WK5C0BIA55, trioctylmethylammonium bisulfate, 1-Octanaminium, N-methyl-N,N-dioctyl-, sulfate (1:1), UNII-WK5C0BIA55, DTXSID70449043, trioctylmethylammonium hydrogen sulfate, DTXCID40399864, N-Methyl-N,N-dioctyloctan-1-aminium hydrogensulfate, Methyltri-n-octylammonium Hydrogen Sulfate, hydrogen sulfate;methyl(trioctyl)azanium, MFCD03095545, C25H55NO4S, SCHEMBL781963, Tri-n-octylmethylammonium Hydrogen Sulfate, methyltrioctylammonium bisulfate, methyltrioctylammonium hydrogensulfate, methyltrioctylazanium hydrogen sulfate, AKOS015856739, FM43254, HY-W099641, Methyltrioctylammonium hydrogen (sulfate), Tri-n-octylmethyammonium hydrogen sulfate, AS-68698, DA-18305, PD197259, SY023663, CS-0152283, M1457, F20559, N-Methyl-N,N-dioctyloctan-1-aminiumhydrogensulfate, Methyltrioctylammonium hydrogen sulfate, >=95.0% (T), Q27292693

Application

Methyltricaprylylammonium bisulfate is primarily employed as a phase-transfer catalyst in nucleophilic substitution and oxidation reactions. It facilitates the transfer of reactants between aqueous and organic phases, enhancing reaction rates and yields. The compound is also used in metal extraction processes due to its ability to form stable complexes with anions. Additionally, it serves as an electrolyte additive in electrochemical systems, improving conductivity and stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98.5%)

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