Description
Tetrabutylphosphonium p-toluenesulfonate (CAS No. 116237-97-9) is a high-purity phosphonium-based ionic liquid with the molecular formula C23H43O3PS. This compound, also known by its IUPAC name 4-methylbenzenesulfonate;tetrabutylphosphanium, is widely utilized in advanced chemical synthesis and material science applications. Its unique combination of a tetrabutylphosphonium cation and p-toluenesulfonate anion provides excellent solubility, thermal stability, and low volatility, making it ideal for use as a phase-transfer catalyst, electrolyte additive, or reaction medium. Available in various quantities, this product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a white to off-white crystalline powder. Suitable for researchers and industrial applications requiring precise ionic liquid properties.
Properties
- CAS Number: 116237-97-9
- Complexity: 309
- IUPAC Name: 4-methylbenzenesulfonate;tetrabutylphosphonium
- InChI: InChI=1S/C16H36P.C7H8O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
- InChI Key: FBYJOCBDWDVDOJ-UHFFFAOYSA-M
- Exact Mass: 430.26705340
- Molecular Formula: C23H43O3PS
- Molecular Weight: 430.6
- SMILES: CCCC[P+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
- Topological: 65.6
- Monoisotopic Mass: 430.26705340
- Synonyms: Tetrabutylphosphonium p-toluenesulfonate, 626-996-2, 116237-97-9, TETRABUTYLPHOSPHONIUM TOLUENE-4-SULFONATE, Tetrabutylphosphoniumtoluene-4-sulfonate, 4-methylbenzenesulfonate;tetrabutylphosphanium, p-Toluenesulfonic acid tetrabutylphosphonium salt, SCHEMBL305721, DTXSID80584999, ET182632, DB-246381, Tetrabutylphosphonium p-methylbenzenesulfonate, tetrabutylphosphanium 4-methylbenzene-1-sulfonate, Tetrabutylphosphonium p-toluenesulfonate, >=95% (NT)
Application
Tetrabutylphosphonium p-toluenesulfonate is commonly employed as a phase-transfer catalyst in organic synthesis, facilitating reactions between immiscible reactants. It serves as an electrolyte component in energy storage systems due to its high ionic conductivity and thermal stability. Researchers also utilize it as a solvent or co-solvent in polymerization and other specialized chemical processes.
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 (100%): 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 (100%)
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