Potassium p-Tolyl Sulfate - ≥98% , CAS No.91978-69-7

CAS: 91978-69-7 Cat. No.: P160504 Molecular Weight: 226.29 EC Number: 815-503-8 PubChem CID: 91972090

GRADE & PURITY ≥98%

Synonyms

Z2235333607 | AKOS025402686 | potassium;(4-methylphenyl) sulfate | Sulfuric Acid p-Cresyl Ester Potassium Salt | Potassium p-Cresyl Sulfate | Potassium p-Tolyl Sulfate | EN300-245072 | AS-58533 | HY-111431A | P2091 | p-TolylSulfatePotassiumSalt | p-Cresyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Potassium p-tolyl sulfate free acid, p-Cresol sulfate is a gut microbiota-derived metabolite of aromatic amino acids, tyrosine, phenylalanine and uremic toxin. p-Cresol sulfate levels typically increase with the progression of chronic kidney disease and in patients with progressive multiple sclerosis.

Metabolomics, microbiome

Specifications

Synonyms

Z2235333607 | AKOS025402686 | potassium;(4-methylphenyl) sulfate | Sulfuric Acid p-Cresyl Ester Potassium Salt | Potassium p-Cresyl Sulfate | Potassium p-Tolyl Sulfate | EN300-245072 | AS-58533 | HY-111431A | P2091 | p-TolylSulfatePotassiumSalt | p-Cresyl

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504772706
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772706
• Canonical Smiles: CC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
• IUPAC Name: potassium;(4-methylphenyl) sulfate
• InChIKey: HTSFIPMTBJHYFQ-UHFFFAOYSA-M
• INCHI: 1S/C7H8O4S.K/c1-6-2-4-7(5-3-6)11-12(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
• Isomeric SMILES: CC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
• PubChem CID: 91972090
• Molecular Weight: 226.29
• Reaxy-Rn: 3756836

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Arylsulfates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Arylsulfates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylsulfates
• Alternative Parents: Phenoxy compounds Toluenes Sulfuric acid monoesters Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylsulfate - Phenoxy compound - Toluene - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Organic alkali metal salt - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: heat sensitive & Moisture sensitive
• Molecular Weight: 226.290 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 225.97 Da
• Monoisotopic Mass: 225.97 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 225.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Wang Shujing, Liang Jiahao, Chen Yu, Liu Xianda, Tong Dongmei, Li Yupei, Zhao Weifeng, Su Baihai, Zhao Changsheng.  (2025)  A highly biocompatible polyethyleneimine/sulfonated polysulfone hemoperfusion microsphere with tailored surface charge for rapid and efficient removal of major protein-bound uremic toxins from simulated human plasma.  Regenerative Biomaterials,      [PMID:41190130] [10.1093/rb/rbaf082]