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CS-W001157 4
Total: USD 88.00

2-Hydroxy-5-octanoylbenzoic acid

  • CAS No. 78418-01-6

  • Cat. No. CS-0152294
  • Purity≥97%
  • MDL No.MFCD11846247

*For research and further manufacturing use only, not for direct human use.

2-Hydroxy-5-octanoylbenzoic acid|CS-0152294

Structure of 78418-01-6

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General Information

  • CAS No. 78418-01-6
  • Cat. No. CS-0152294
  • Purity ≥97%
  • MDL No. MFCD11846247
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀O₄
  • Molecular Weight 264.32
  • Synonym(s) Capryloyl salicylic acid
  • SMILES CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O

Synthesis

  • Route1
    • null|null
      78417-96-6
    • ~90%
    • 2-Hydroxy-5-octanoylbenzoic acid|CS-0152294
      78418-01-6

    References

    • Coburn; Batista; Evans; Genco Journal of Medicinal Chemistry, 1981 , vol. 24, # 10 p. 1245 - 1249
  • Route2
    • null|null
      111-64-8
    • Salicylic acid, ≥99%|CS-1268363
      69-72-7
    • ~62%
    • 2-Hydroxy-5-octanoylbenzoic acid|CS-0152294
      78418-01-6

    References

    • Duendar, Yasemin; Oezatik, Yasemin; Oezatik, Orhan; Ergin, Volkan; Oenkol, Tijen; Menevse, Adnan; Erol, Kevser; Sahin, M. Fethi Medicinal Chemistry, 2012 , vol. 8, # 3 p. 481 - 490
  • Route3
    • null|null
      111-64-8
    • ~%
    • 2-Hydroxy-5-octanoylbenzoic acid|CS-0152294
      78418-01-6

    References

    • Coburn; Batista; Evans; Genco Journal of Medicinal Chemistry, 1981 , vol. 24, # 10 p. 1245 - 1249

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   3.6336
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   8

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