Cas no 85851-78-1 (1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-(6-methyloctyl) ester)

1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-(6-methyloctyl) ester structure
85851-78-1 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-(6-methyloctyl) ester
CAS No:85851-78-1
MF:C26H42O4
MW:418.609288692474
CID:724754
Update Time:2026-04-29

1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-(6-methyloctyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-(6-methyloctyl) ester
    • 2-O-(4-methyloctyl) 1-O-(6-methyloctyl) benzene-1,2-dicarboxylate
    • 4-methyloctyl 6-methyloctyl phthalate

Computed Properties

  • Exact Mass: 418.30831
  • Monoisotopic Mass: 418.30831
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 18
  • Complexity: 462
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.6
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Density: 0.973
  • Boiling Point: 405.7°C at 760 mmHg
  • Flash Point: 216.3°C
  • Refractive Index: 1.487

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