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1-(3-Hydroxy-5-methylphenyl)ethanone

  • CAS No. 43113-93-5

  • Cat. No. CS-0153253
  • Purity≥98%
  • MDL No.MFCD04003841

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

1-(3-Hydroxy-5-methylphenyl)ethanone|CS-0153253

Structure of 43113-93-5

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General Information

  • CAS No. 43113-93-5
  • Cat. No. CS-0153253
  • Purity ≥98%
  • MDL No. MFCD04003841
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂
  • Molecular Weight 150.17
  • Synonym(s) 1-(3-Hydroxy-5-methyl-phenyl)-aethanon
  • SMILES CC1=CC(=CC(=C1)O)C(=O)C

Description

This ketone features a phenolic hydroxyl group ortho to the acetyl moiety, enhancing its reactivity in electrophilic substitution and enabling direct functionalization. The methyl substituent provides steric and electronic modulation, improving solubility and stability under standard conditions.

Application

1-(3-Hydroxy-5-methylphenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted phenolic ketones via standard Friedel-Crafts acylation or oxidative coupling protocols. Its hydroxyl and methyl groups provide orthogonal functional handles for derivatization, while the acetophenone scaffold offers excellent bench stability and compatibility with common protecting group strategies.

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   37.3
  • LogP   1.90322
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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