Cas no 21111-81-9 (1,4-Benzenediol,2,6-dimethyl-, 1,4-dibenzoate)

1,4-Benzenediol,2,6-dimethyl-, 1,4-dibenzoate structure
21111-81-9 structure
Product Name:1,4-Benzenediol,2,6-dimethyl-, 1,4-dibenzoate
CAS No:21111-81-9
MF:C22H18O4
MW:346.375926494598
CID:291365
PubChem ID:299975
Update Time:2025-04-19

1,4-Benzenediol,2,6-dimethyl-, 1,4-dibenzoate Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediol,2,6-dimethyl-, 1,4-dibenzoate
    • (4-benzoyloxy-3,5-dimethylphenyl) benzoate
    • 2,5-bis-benzoyloxy-1,3-dimethyl-benzene
    • 2,5-Bis-benzoyloxy-1,3-dimethyl-benzol
    • 2,6-dimethylbenzene-1,4-diyl dibenzoate
    • 2.6-Dimethyl-hydrochinon-bis-< benzoat>
    • AC1L6VBM
    • NSC173997
    • DTXSID20306076
    • NSC-173997
    • 21111-81-9
    • SCHEMBL11511170
    • Inchi： 1S/C22H18O4/c1-15-13-19(25-21(23)17-9-5-3-6-10-17)14-16(2)20(15)26-22(24)18-11-7-4-8-12-18/h3-14H,1-2H3
    • InChI Key： PWEDRMDCDISIQK-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1)=O)C1C(C)=CC(=CC=1C)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 346.12054
  • Monoisotopic Mass: 346.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 6
  • Complexity: 465
  • 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: 5.5
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.199
  • Boiling Point: 527.3°Cat760mmHg
  • Flash Point: 269.7°C
  • Refractive Index: 1.602
  • PSA: 52.6

1,4-Benzenediol,2,6-dimethyl-, 1,4-dibenzoate Related Literature

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