Record Information
Creation date2015-10-09 22:33:37 UTC
Update date2017-01-19 02:36:42 UTC
FoodComEx IDPC000960
FoodDB RecordFDB028333
Chemical Information
Namep-Cresol sulfate
Descriptionp-Cresol sulfate is a microbial metabolite that is found in urine and likely derives from secondary metabolism of p-cresol. It appears to be elevated in the urine of individuals with progressive multiple sclerosis (PMID: 10775436). p-Cresol sulfate is the major component of urinary MBPLM (myelin basic protein-like material). p-Cresol sulfate is a small protein-bound molecule that is poorly cleared with dialysis and is often considered to be a uremic toxin. Uremic toxins include low-molecular-weight compounds such as indoxyl sulfate, p-cresol sulfate, 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid and asymmetric dimethylarginine (PMID: 18941347). It has been linked to cardiovascular disease and oxidative injury. [HMDB]
CAS Number3233-58-7
4-Cresol sulfateChEBI
4-Cresol sulfuric acidGenerator
4-Cresol sulphateGenerator
4-Cresol sulphuric acidGenerator
mono(4-methylphenyl) Sulfatehmdb
p-Cresol sulfatehmdb
p-Cresol sulphatehmdb
P-Cresyl sulfateHMDB
P-Cresyl sulphateHMDB
p-Tolyl sulfate (6CI,7CI)hmdb
P-Tolyl sulphate (6ci,7ci)HMDB
para-Cresol sulfatehmdb
Para-cresol sulphateHMDB
Sulfate mono-P-tolyl esterGenerator
Sulfuric acid mono-P-tolyl esterChEBI
sulfuric acid mono(p-tolyl) ester (8CI)hmdb
Sulphate mono-P-tolyl esterGenerator
Sulphuric acid mono-P-tolyl esterGenerator
Chemical FormulaC7H8O3S
IUPAC name4-methylbenzene-1-sulfonic acid
InChI IdentifierInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
Isomeric SMILESCC1=CC=C(C=C1)S(O)(=O)=O
Average Molecular Weight172.202
Monoisotopic Molecular Weight172.019414812
Chemical Taxonomy
Description Belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzenesulfonic acids and derivatives
Direct Parentp-Methylbenzenesulfonates
Alternative Parents
  • P-methylbenzenesulfonate
  • Tosyl compound
  • Benzenesulfonyl group
  • 1-sulfo,2-unsubstituted aromatic compound
  • Arylsulfonic acid or derivatives
  • Toluene
  • Sulfonyl
  • Organosulfonic acid
  • Organosulfonic acid or derivatives
  • Organic sulfonic acid or derivatives
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organosulfur compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 200 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez
Commercial Vendors
Not Available