Cas no 28294-58-8 (Benzoic acid,5-hexadecyl-2-hydroxy-)

Benzoic acid,5-hexadecyl-2-hydroxy- structure
28294-58-8 structure
Product Name:Benzoic acid,5-hexadecyl-2-hydroxy-
CAS No:28294-58-8
MF:C23H38O3
MW:362.54602766037
CID:274069
PubChem ID:110437
Update Time:2025-04-19

Benzoic acid,5-hexadecyl-2-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,5-hexadecyl-2-hydroxy-
    • 5-hexadecyl-2-hydroxybenzoic acid
    • 5-Hexadecylsalicylic acid
    • NS00028454
    • DTXSID2067375
    • 28294-58-8
    • VCLDAIPENLEIRV-UHFFFAOYSA-N
    • 5-(hexadec-1-yl)salicylic acid
    • Benzoic acid, 5-hexadecyl-2-hydroxy-
    • EINECS 248-944-4
    • SCHEMBL3220025
    • Inchi: 1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26/h17-19,24H,2-16H2,1H3,(H,25,26)
    • InChI Key: VCLDAIPENLEIRV-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1C(=O)O)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 362.28224
  • Monoisotopic Mass: 362.282095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 16
  • Complexity: 342
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10.8
  • Topological Polar Surface Area: 57.5

Experimental Properties

  • Density: 0.995
  • Boiling Point: 496°C at 760 mmHg
  • Flash Point: 267.9°C
  • Refractive Index: 1.512
  • PSA: 57.53
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