Cas no 93882-75-8 (Hexadecyl hydrogen 2-octadecenylsuccinate)

Hexadecyl hydrogen 2-octadecenylsuccinate structure
93882-75-8 structure
Product Name:Hexadecyl hydrogen 2-octadecenylsuccinate
CAS No:93882-75-8
MF:C38H72O4
MW:592.97589302063
CID:811091
PubChem ID:44153456
Update Time:2025-04-19

Hexadecyl hydrogen 2-octadecenylsuccinate Chemical and Physical Properties

Names and Identifiers

    • Hexadecyl hydrogen 2-octadecenylsuccinate
    • 93882-75-8
    • EINECS 299-458-4
    • Inchi: 1S/C38H72O4/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-36(38(40)41)35-37(39)42-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h29,31,36H,3-28,30,32-35H2,1-2H3,(H,40,41)/b31-29+
    • InChI Key: MDFLCPYNYGOFPM-OWWNRXNESA-N
    • SMILES: O(C(CC(C(=O)O)C/C=C/CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 592.54306077g/mol
  • Monoisotopic Mass: 592.54306077g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 35
  • Complexity: 600
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 16.1
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Boiling Point: 656.5°Cat760mmHg
  • Flash Point: 183.3°C
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