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CS-W001157 4
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3,5-Cresotic acid

  • CAS No. 585-81-9

  • Cat. No. CS-0030557
  • Purity≥96%
  • MDL No.MFCD09833213

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

3,5-Cresotic acid|CS-0030557

Structure of 585-81-9

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General Information

  • CAS No. 585-81-9
  • Cat. No. CS-0030557
  • Purity ≥96%
  • MDL No. MFCD09833213
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₃
  • Molecular Weight None
  • Synonym(s) NSC 28456; 3-Hydroxy-5-methylbenzoic acid
  • SMILES O=C(O)C1=CC(C)=CC(O)=C1

Description

3,5-Cresotic acid features a symmetrically disubstituted aromatic core with methyl groups at the 3- and 5-positions, enhancing steric protection of the carboxylic acid functionality. This configuration imparts enhanced stability and facilitates selective derivatization in synthetic workflows. The molecule integrates readily into functionalized scaffolds requiring defined spatial orientation and resistance to decarboxylation under standard conditions.

Application

3,5-Cresotic acid serves as a valuable building block in synthetic organic chemistry, enabling the construction of substituted benzoic acid derivatives with defined ortho-substitution patterns. Its carboxylic acid functionality facilitates direct coupling reactions and derivatization under standard conditions. The methyl groups at the 3- and 5-positions provide steric and electronic modulation, enhancing stability and influencing reactivity in subsequent transformations. This compound functions reliably in multi-step syntheses requiring precise regiocontrol and bench-stable intermediates for pharmaceutical and agrochemical scaffold development.

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-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   1.39882
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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