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CS-W001157 4
Total: USD 88.00

Ethyl Caffeate

  • CAS No. 102-37-4

  • Cat. No. CS-W019100
  • Purity≥98%
  • MDL No.MFCD00045754

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

Ethyl Caffeate|CS-W019100

Structure of 102-37-4

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General Information

  • CAS No. 102-37-4
  • Cat. No. CS-W019100
  • Purity ≥98%
  • MDL No. MFCD00045754
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₄
  • Molecular Weight 208.21
  • Synonym(s) None
  • SMILES O=C(OCC)/C=C/C1=CC=C(O)C(O)=C1

Description

Ethyl Caffeate features a conjugated diene system and phenolic hydroxyl groups, conferring antioxidant activity and stability under standard conditions. This ester derivative integrates readily into synthetic routes requiring lipophilic, electron-rich phenolics.

Application

Ethyl Caffeate serves as a stable, bench-ready ester derivative of caffeic acid, enabling straightforward incorporation into synthetic routes requiring phenolic and α,β-unsaturated carboxylic acid functionality. It functions as a key building block for bioactive heterocycles and prodrug architectures, offering enhanced solubility and metabolic stability over the parent acid. Its reactivity profile supports standard transformations including hydrogenation, nucleophilic addition, and coupling reactions, facilitating integration into complex molecular scaffolds.

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   1.6741
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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