Cas no 85168-77-0 (1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI))

1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI) structure
85168-77-0 structure
Product Name:1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI)
CAS No:85168-77-0
MF:C31H52O4
MW:488.742190361023
CID:734339
PubChem ID:22274721
Update Time:2025-04-19

1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI)
    • 1-O-(11-methyldodecyl) 2-O-(8-methylnonyl) benzene-1,2-dicarboxylate
    • isodecyl isotridecyl phthalate
    • Isodecyl isotridecyl phthalate (Technical)
    • EINECS 285-918-1
    • SCHEMBL6325391
    • NS00038818
    • DTXSID50234318
    • 85168-77-0
    • Inchi: 1S/C31H52O4/c1-26(2)20-14-10-7-5-6-8-12-18-24-34-30(32)28-22-16-17-23-29(28)31(33)35-25-19-13-9-11-15-21-27(3)4/h16-17,22-23,26-27H,5-15,18-21,24-25H2,1-4H3
    • InChI Key: CJUZLEPRTLYUCM-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1C(=O)OCCCCCCCC(C)C)=O)CCCCCCCCCCC(C)C

Computed Properties

  • Exact Mass: 488.38656014g/mol
  • Monoisotopic Mass: 488.38656014g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 23
  • Complexity: 528
  • 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: 12.3
  • Topological Polar Surface Area: 52.6?2
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