Cas no 356031-47-5 (Phenol, 2,4,6-trimethyl-, 4-methylbenzenesulfonate)

Phenol, 2,4,6-trimethyl-, 4-methylbenzenesulfonate structure
356031-47-5 structure
Product Name:Phenol, 2,4,6-trimethyl-, 4-methylbenzenesulfonate
CAS No:356031-47-5
MF:C16H18O3S
MW:290.377323627472
CID:1471598
PubChem ID:11197042
Update Time:2025-04-20

Phenol, 2,4,6-trimethyl-, 4-methylbenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2,4,6-trimethyl-, 4-methylbenzenesulfonate
    • 4-methylbenzenesulfonic acid,2,4,6-trimethylphenol
    • Mesityl 4-methylbenzenesulfonate
    • EN300-7196578
    • 356031-47-5
    • 2,4,6-trimethylphenyl 4-methylbenzene-1-sulfonate
    • Inchi: 1S/C16H18O3S/c1-11-5-7-15(8-6-11)20(17,18)19-16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3
    • InChI Key: XISRALABLLXFPP-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)OC1C(C)=CC(C)=CC=1C

Computed Properties

  • Exact Mass: 308.1083
  • Monoisotopic Mass: 290.09766561g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 392
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 74.6

Phenol, 2,4,6-trimethyl-, 4-methylbenzenesulfonate Pricemore >>

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