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CS-W001157 4
Total: USD 88.00

Isopropyl 4-hydroxy-3,5-diisopropylbenzoate

  • CAS No. 2095678-97-8

  • Cat. No. CS-0160231
  • Molecule weight264.36
  • Purity≥98%
  • MDL No.None

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

Isopropyl 4-hydroxy-3,5-diisopropylbenzoate|CS-0160231

Structure of 2095678-97-8

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General Information

  • CAS No. 2095678-97-8
  • Cat. No. CS-0160231
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₄O₃
  • Molecular Weight 264.36
  • Synonym(s) Propofol Impurity P
  • SMILES O=C(OC(C)C)C1=CC(C(C)C)=C(O)C(C(C)C)=C1

Application

Isopropyl 4-hydroxy-3,5-diisopropylbenzoate serves as a versatile synthetic intermediate in medicinal chemistry and agrochemical research. The phenolic hydroxyl group enables direct derivatization via etherification, esterification, or metal-catalyzed coupling reactions. Its sterically shielded diisopropyl substituents enhance bench stability and resist unwanted side reactions, while the isopropyl ester facilitates straightforward hydrolysis under mild conditions. Functions reliably in standard synthetic workflows requiring orthogonally protected phenols.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   4.2042
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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