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CS-W001157 4
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3-Acetyl-4-hydroxybenzoic acid

  • CAS No. 16357-40-7

  • Cat. No. CS-0102036
  • Purity≥97%
  • MDL No.MFCD00532680

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

3-Acetyl-4-hydroxybenzoic acid|CS-0102036

Structure of 16357-40-7

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General Information

  • CAS No. 16357-40-7
  • Cat. No. CS-0102036
  • Purity ≥97%
  • MDL No. MFCD00532680
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight 180.16
  • Synonym(s) 5-Carboxy-2-hydroxyacetophenone
  • SMILES O=C(O)C1=CC=C(O)C(C(C)=O)=C1

Description

3-Acetyl-4-hydroxybenzoic acid features a conjugated aromatic core bearing a hydroxyl group at the para position relative to a carboxylic acid, enabling hydrogen bonding and enhanced solubility. The acetyl substituent imparts electrophilic character, facilitating coupling reactions in synthetic routes to bioactive molecules and functional materials. This compound serves as a key intermediate in pharmaceutical and agrochemical synthesis.

Application

3-Acetyl-4-hydroxybenzoic acid serves as a versatile building block for medicinal chemistry and natural product synthesis, enabling efficient access to substituted benzene scaffolds. Its ortho-difunctionalized structure—combining a carboxylic acid and phenolic hydroxyl—facilitates selective derivatization, while the acetyl group provides a handle for further transformations such as reductive cleavage or nucleophilic substitution. The compound exhibits good bench stability and is amenable to standard purification methods, making it well-suited for use in multi-step syntheses and library generation.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.293
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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