Cas no 68515-54-8 (1,2-Benzenedicarboxylicacid, mono-C9-11-branched alkyl esters, C10-rich)

1,2-Benzenedicarboxylicacid, mono-C9-11-branched alkyl esters, C10-rich structure
68515-54-8 structure
Product Name:1,2-Benzenedicarboxylicacid, mono-C9-11-branched alkyl esters, C10-rich
CAS No:68515-54-8
MF:C28H46O4
MW:446.662449359894
CID:528714
PubChem ID:109428
Update Time:2025-04-19

1,2-Benzenedicarboxylicacid, mono-C9-11-branched alkyl esters, C10-rich Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, mono-C9-11-branched alkyl esters, C10-rich
    • 4-methyl-2-propylhexyl 3-propylheptyl benzene-1,2-dicarboxylate
    • 2-O-(4-methyl-2-propylhexyl) 1-O-(3-propylheptyl) benzene-1,2-dicarboxylate
    • DTXSID20988174
    • EINECS 271-097-7
    • 68515-54-8
    • Inchi: 1S/C28H46O4/c1-6-10-15-23(13-7-2)18-19-31-27(29)25-16-11-12-17-26(25)28(30)32-21-24(14-8-3)20-22(5)9-4/h11-12,16-17,22-24H,6-10,13-15,18-21H2,1-5H3
    • InChI Key: SGQFNMXWBSKZLQ-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1C(=O)OCCC(CCC)CCCC)=O)CC(CCC)CC(C)CC

Computed Properties

  • Exact Mass: 446.33961
  • Monoisotopic Mass: 446.33961
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 19
  • Complexity: 504
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6
  • XLogP3: 9.9

Experimental Properties

  • Density: 0.963
  • Boiling Point: 412.1°Cat760mmHg
  • Flash Point: 219.9°C
  • Refractive Index: 1.486
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