128309-26-2

Basic information

• Product Name: sodium 4-tert-butylbenzenesulfonate
• Synonyms: Sodium 4-tert-butylbenzenesulfonate
• CAS NO: 128309-26-2
• Molecular Formula: C₁₀H₁₃O₃S*Na
• Molecular Weight: 236.26319
• Mol File: 128309-26-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: sodium 4-tert-butylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: sodium 4-tert-butylbenzenesulfonate(128309-26-2)
• EPA Substance Registry System: sodium 4-tert-butylbenzenesulfonate(128309-26-2)

Safety Data

• Hazardous Substances Data: 128309-26-2(Hazardous Substances Data)

Upstream product

• 1133-17-1 4-(tert-butyl)benzenesulfonic acid 

Downstream Products

• 4210-32-6 4-tert-butyl benzonitrile 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 1582221-67-7 ethyl 5-(4-(tert-butyl)phenyl)-2-phenyloxazole-4-carboxylate 

Relevant articles and documents

Recognition of ionic guests by ionic β-cyclodextrin derivatives

Inclusion compounds of cationic, anionic, and neutral p-substituted derivatives of feri-butylbenzene complexed in β-cyclodextrin and its ionic 6-mono and 6-hepta derivatives were systematically investigated by isothermal titration calorimetry (ITC). All inclusion compounds showed 1:1 stoichiometry with binding constants ranging from 10 to 3 × 106 M -1. The binding free energies could be subdivided into apolar and electrostatic contributions. The electrostatic interactions could be quantitatively described by Coulomb's law by taking into account the degree of protonation of hosts and guests, the orientations of the guests within the hosts, and ion shielding as described by the Debye-Hueckel-Onsager theory. The orientations of the guests within the cyclodextrin cavities were determined by ROESY NMR spectroscopy.