Cas no 6836-40-4 (6-Pentadecanol)

6-Pentadecanol structure
6-Pentadecanol structure
Product Name:6-Pentadecanol
CAS No:6836-40-4
MF:C15H32O
MW:228.41398525238
CID:505185
PubChem ID:98974
Update Time:2025-04-19

6-Pentadecanol Chemical and Physical Properties

Names and Identifiers

    • 6-Pentadecanol
    • pentadecan-6-ol
    • 6836-40-4
    • DTXSID701317188
    • NSC 158521
    • SCHEMBL378654
    • NSC-158521
    • AKOS014482731
    • CHEBI:197383
    • NS00045186
    • EINECS 229-917-6
    • NSC158521
    • 6-hydroxypentadecane
    • Inchi: 1S/C15H32O/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h15-16H,3-14H2,1-2H3
    • InChI Key: RNZYPFVHWLRVPJ-UHFFFAOYSA-N
    • SMILES: OC(CCCCC)CCCCCCCCC

Computed Properties

  • Exact Mass: 228.24546
  • Monoisotopic Mass: 228.245315640g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 12
  • Complexity: 123
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.4
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.8221 (estimate)
  • Boiling Point: 300.24°C (estimate)
  • Refractive Index: 1.4249 (estimate)
  • PSA: 20.23
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