Cas no 91978-69-7 (p-Methylphenyl potassium sulfate)

p-Methylphenyl potassium sulfate structure
91978-69-7 structure
Product Name:p-Methylphenyl potassium sulfate
CAS No:91978-69-7
MF:C7H8KO4S
MW:227.299322128296
MDL:MFCD28100835
CID:1058106
PubChem ID:91972090
Update Time:2024-10-26

p-Methylphenyl potassium sulfate Chemical and Physical Properties

Names and Identifiers

    • p-Cresol Sulfate-[D7] Potassium Salt (p-Tolyl Sulfate-[D7] Potassium Salt)
    • p-Tolyl Sulfate Potassium Salt
    • Potassium p-Tolyl Sulfate
    • p-Tolyl Sulfate Pota
    • sulfuric acid mono-p-tolyl ester, potassium salt
    • Potassium p-Cresyl Sulfate
    • Sulfuric Acid p-Cresyl Ester Potassium Salt
    • Sulfuric Acid p-Tolyl Ester Potassium Salt
    • potassium 4-methylphenyl sulfate
    • p-Methylphenyl potassium sulfate
    • P2091
    • Z2235333607
    • Potassium p-tolyl sulfate (6CI, 7CI)
    • Sulfuric acid, mono(4-methylphenyl) ester, potassium salt (9CI)
    • p-TolylSulfatePotassiumSalt
    • CS-0040681
    • potassium;(4-methylphenyl) sulfate
    • Mono(4-methylphenyl) Ester Sulfuric Acid Potassium Salt; p-Methylphenyl Potassium Sulfate; p-Cresol Sulfate Potassium Salt
    • AKOS025402686
    • DA-76959
    • T73070
    • p-Cresyl sulfate (potassium)
    • HTSFIPMTBJHYFQ-UHFFFAOYSA-M
    • HY-111431A
    • 91978-69-7
    • MFCD28100835
    • EN300-245072
    • p-cresol sulfate potassium
    • p-Tolyl sulfate (potassium)
    • AS-58533
    • MDL: MFCD28100835
    • Inchi: 1S/C7H8O4S.K/c1-6-2-4-7(5-3-6)11-12(8,9)10;/h2-5H,1H3,(H,8,9,10);
    • InChI Key: PQVKZHHETGONTQ-UHFFFAOYSA-N
    • SMILES: [K].O=S(OC1C=CC(C)=CC=1)(O)=O

Computed Properties

  • Exact Mass: 225.97000
  • Monoisotopic Mass: 225.97021136g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 225
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 74.8

Experimental Properties

  • Melting Point: 189-193°C
  • Solubility: biological extracorporealIn Vitro:DMSOsolubility≥ 300 mg/mL(1325.73 mM)*"≥" means solublesoluble , but saturation unknownsolubilityunknown.
  • PSA: 74.81000
  • LogP: 1.91480

p-Methylphenyl potassium sulfate Security Information

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