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CS-W001157 4
Total: USD 88.00

Methyl 4-(4-hydroxybutyl)benzoate

  • CAS No. 123910-88-3

  • Cat. No. CS-0456828
  • Molecule weight208.25
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(4-hydroxybutyl)benzoate|CS-0456828

Structure of 123910-88-3

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General Information

  • CAS No. 123910-88-3
  • Cat. No. CS-0456828
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₃
  • Molecular Weight 208.25
  • Synonym(s) Methyl 4-(4-hydroxybut-1-yl)benzoate
  • SMILES COC(=O)C1=CC=C(CCCCO)C=C1

Description

Methyl 4-(4-hydroxybutyl)benzoate features a hydroxyl-bearing aliphatic chain tethered to a para-substituted aromatic ester. This bifunctional architecture enables seamless integration into polymer backbones and conjugation workflows, offering enhanced solubility and controlled reactivity under standard conditions.

Application

Methyl 4-(4-hydroxybutyl)benzoate serves as a versatile synthetic intermediate, enabling efficient construction of functionalized aromatic systems. The pendant hydroxyl group facilitates derivatization via esterification, etherification, or oxidation to carboxylic acid, while the ester moiety supports selective reduction or nucleophilic substitution. Its bench-stable nature and compatibility with standard purification protocols make it well-suited for iterative synthesis workflows in medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • Taylor; Harrington Journal of Organic Chemistry, 1990 ,  vol. 55,  # 10  p. 3222 - 3227

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+P364

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.7882
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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