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CS-W001157 4
Total: USD 88.00

4-Pentylbenzoic acid

  • CAS No. 26311-45-5

  • Cat. No. CS-W010704
  • Purity≥98%
  • MDL No.MFCD00002572

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

4-Pentylbenzoic acid|CS-W010704

Structure of 26311-45-5

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General Information

  • CAS No. 26311-45-5
  • Cat. No. CS-W010704
  • Purity ≥98%
  • MDL No. MFCD00002572
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.26
  • Synonym(s) P-Pentyl Benzoic Acid; 4-Pentylbenzoic acid
  • SMILES O=C(O)C1=CC=C(CCCCC)C=C1

Description

4-Pentylbenzoic acid is a linear alkyl-substituted benzoic acid featuring a five-carbon chain at the para position. This structure imparts enhanced lipophilicity and crystalline stability, facilitating use in supramolecular assemblies and liquid crystal formulations. The carboxylic acid group enables direct coupling reactions under standard conditions.

Application

4-Pentylbenzoic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized aromatic systems through standard esterification, amidation, and coupling reactions. Its alkyl-substituted benzene ring provides enhanced lipophilicity and metabolic stability, making it valuable for medicinal chemistry applications. The carboxylic acid functionality offers reliable reactivity under common activation conditions, facilitating purification via crystallization or chromatography. This compound functions effectively in the synthesis of pharmaceutical intermediates and advanced materials.

Synthesis

  • Route1
    • null|null
      592-76-7
    • In-stock
      Coumalic acid|CS-0001427
      500-05-0
    • ~86%
    • In-stock
      4-Pentylbenzoic acid|CS-W010704
      26311-45-5

    References

    • Kraus, George A.; Riley, Sean; Cordes, Travis Green Chemistry, 2011 , vol. 13, # 10 p. 2734 - 2736
  • Route2
    • In-stock
      4-Bromobenzoic acid|CS-W020100
      586-76-5
    • null|null
      693-25-4
    • ~86%
    • In-stock
      4-Pentylbenzoic acid|CS-W010704
      26311-45-5

    References

    • Bumagin, Nikolai A.; Luzikova, Elena V. Journal of Organometallic Chemistry, 1997 , vol. 532, # 1-2 p. 271 - 273
  • Route3
    • 4-Pentylbenzaldehyde|CS-0319573
      6853-57-2
    • ~%
    • In-stock
      4-Pentylbenzoic acid|CS-W010704
      26311-45-5

    References

    • Nakai; Konno; Kosuge; Sakuyama; Toda; Arai; Obata; Katsube; Miyamoto; Okegawa; Kawasaki Journal of Medicinal Chemistry, 1988 , vol. 31, # 1 p. 84 - 91

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.1175
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   5

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