Cas no 7479-30-3 (1,4-Benzenediol,2,3,5-trimethyl-, 1,4-dibenzoate)

1,4-Benzenediol,2,3,5-trimethyl-, 1,4-dibenzoate structure
7479-30-3 structure
Product Name:1,4-Benzenediol,2,3,5-trimethyl-, 1,4-dibenzoate
CAS No:7479-30-3
MF:C23H20O4
MW:360.402506828308
CID:580594
PubChem ID:344610
Update Time:2025-04-19

1,4-Benzenediol,2,3,5-trimethyl-, 1,4-dibenzoate Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediol,2,3,5-trimethyl-, 1,4-dibenzoate
    • NSC-401625
    • SCHEMBL7184949
    • NSC401625
    • (4-benzoyloxy-2,3,5-trimethylphenyl) benzoate
    • Q63395651
    • 7479-30-3
    • 3,5,6-TRIMETHYL-P-HYDOQUINONE DIBENZOATE
    • DTXSID60322598
    • Inchi: 1S/C23H20O4/c1-15-14-20(26-22(24)18-10-6-4-7-11-18)16(2)17(3)21(15)27-23(25)19-12-8-5-9-13-19/h4-14H,1-3H3
    • InChI Key: WQYMVLAZGLEXEI-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)C1=C(C)C=C(C(C)=C1C)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 360.1362
  • Monoisotopic Mass: 360.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 505
  • 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: 5.8
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.181
  • Boiling Point: 554°Cat760mmHg
  • Flash Point: 284.2°C
  • Refractive Index: 1.597
  • PSA: 52.6
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