Cas no 97692-55-2 (1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(3-ethylheptyl) ester)

1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(3-ethylheptyl) ester structure
97692-55-2 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(3-ethylheptyl) ester
CAS No:97692-55-2
MF:C26H42O4
MW:418.609288692474
CID:813457
PubChem ID:113415
Update Time:2025-04-19

1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(3-ethylheptyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(3-ethylheptyl) ester
    • 2-O-(2,5-dimethylheptyl) 1-O-(3-ethylheptyl) benzene-1,2-dicarboxylate
    • 3-ethylheptyl 2,5-dimethylheptyl phthalate
    • DTXSID50913737
    • NS00065724
    • 97692-55-2
    • 2,5-dimethylheptyl 3-ethylheptyl benzene-1,2-dicarboxylate
    • EINECS 307-707-6
    • Inchi： 1S/C26H42O4/c1-6-9-12-22(8-3)17-18-29-25(27)23-13-10-11-14-24(23)26(28)30-19-21(5)16-15-20(4)7-2/h10-11,13-14,20-22H,6-9,12,15-19H2,1-5H3
    • InChI Key： RPEMFIXNDWKIKW-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1C(=O)OCCC(CC)CCCC)=O)CC(C)CCC(C)CC

Computed Properties

  • Exact Mass: 418.308
  • Monoisotopic Mass: 418.308
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 17
  • Complexity: 476
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 0.972
  • Boiling Point: 391.4°C at 760 mmHg
  • Flash Point: 208.2°C
  • Refractive Index: 1.486

1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(3-ethylheptyl) ester Related Literature

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97692-55-2 (1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(3-ethylheptyl) ester) Related Products

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