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CS-W001157 4
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3-Hydroxybenzeneethanol

  • CAS No. 13398-94-2

  • Cat. No. CS-0171132
  • Purity≥95%
  • MDL No.MFCD00002895

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

3-Hydroxybenzeneethanol|CS-0171132

Structure of 13398-94-2

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General Information

  • CAS No. 13398-94-2
  • Cat. No. CS-0171132
  • Purity ≥95%
  • MDL No. MFCD00002895
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₂
  • Molecular Weight 138.17
  • Synonym(s) None
  • SMILES C1=CC(=CC(=C1)O)CCO

Description

3-(2-Hydroxyethyl)phenol features a phenolic hydroxyl group paired with a pendant hydroxyethyl chain, enabling dual hydrogen-bonding capacity and enhanced solubility in polar solvents. This structural motif facilitates integration into bioconjugation strategies and polymer architectures requiring tailored polarity and reactivity.

Application

3-(2-Hydroxyethyl)phenol serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. Its ortho-hydroxyl and primary alcohol groups offer orthogonal reactivity for selective derivatization, including etherification, esterification, and coupling reactions. The molecule exhibits good bench stability and facilitates purification via standard techniques, making it well-suited for medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1

    References

    • Sumitomo Pharmaceuticals Company, Limited Patent: EP1386913 A1, 2004 ; Location in patent: Page 68 ;
  • Route2
    • null|null
      60-12-8
    • ~%
    • Tyrosol Metoprolol Impurity|CS-0214021
      501-94-0
    • In-stock
      Hydroxytyrosol|CS-0009107
      10597-60-1
    • In-stock
      3-Hydroxybenzeneethanol|CS-0171132
      13398-94-2

    References

    • Journal of Molecular Catalysis B: Enzymatic, , vol. 84, p. 121 - 127
  • Route3

    References

    • Guiso, Marcella; Bianco, Armandodoriano; Marra, Carolina; Cavarischia, Claudia European Journal of Organic Chemistry, 2003 , # 17 p. 3407 - 3411

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   0.927
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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