Cas no 85507-79-5 (1,2-Benzenedicarboxylicacid, 1,2-diundecyl ester, branched and linear)

1,2-Benzenedicarboxylicacid, 1,2-diundecyl ester, branched and linear structure
85507-79-5 structure
Product Name:1,2-Benzenedicarboxylicacid, 1,2-diundecyl ester, branched and linear
CAS No:85507-79-5
MF:C31H52O4
MW:488.742190361023
CID:721325
PubChem ID:5748789
Update Time:2025-04-19

1,2-Benzenedicarboxylicacid, 1,2-diundecyl ester, branched and linear Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, 1,2-diundecyl ester, branched and linear
    • DI-ISOUNDECYL PHTHALATE(DIUP)
    • diundecyl phthalate, branched and linear
    • JOHNPRHIYSPRSW-SVBPBHIXSA-N
    • EINECS 287-401-6
    • 85507-79-5
    • 1-O-dodecyl 2-O-[(2R,3S)-3-ethyl-2-propylhexyl] benzene-1,2-dicarboxylate
    • EC 287-401-6
    • Inchi： 1S/C31H52O4/c1-5-9-10-11-12-13-14-15-16-19-24-34-30(32)28-22-17-18-23-29(28)31(33)35-25-27(21-7-3)26(8-4)20-6-2/h17-18,22-23,26-27H,5-16,19-21,24-25H2,1-4H3/t26-,27-/m0/s1
    • InChI Key： JOHNPRHIYSPRSW-SVBPBHIXSA-N
    • SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCCCCCCCCC)=O)C[C@H](CCC)[C@@H](CC)CCC

Computed Properties

  • Exact Mass: 488.387
  • Monoisotopic Mass: 488.387
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 23
  • Complexity: 532
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6A^2
  • XLogP3: 11.9

Experimental Properties

  • Density: 0.953
  • Melting Point: 35.5 deg C
  • Boiling Point: 455°C at 760 mmHg
  • Flash Point: 244.1°C
  • Refractive Index: 1.485

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