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tert-Butyl 8-hydroxyoctanoate

  • CAS No. 401901-41-5

  • Cat. No. CS-0129686
  • Molecule weight216.32
  • Purity≥96%
  • MDL No.MFCD30472716

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

tert-Butyl 8-hydroxyoctanoate|CS-0129686

Structure of 401901-41-5

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General Information

  • CAS No. 401901-41-5
  • Cat. No. CS-0129686
  • Purity ≥96%
  • MDL No. MFCD30472716
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₄O₃
  • Molecular Weight 216.32
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)CCCCCCCO

Description

tert-Butyl 8-hydroxyoctanoate features a hydroxylated aliphatic chain flanked by a bulky tert-butyl ester group, enhancing solubility and stability in organic synthesis. This structural motif enables selective functionalization at the C8 position, supporting applications in chiral building block development and polymer side-chain engineering under standard conditions.

Application

tert-Butyl 8-hydroxyoctanoate serves as a versatile hydroxylated ester building block in synthetic organic chemistry, enabling straightforward access to functionalized aliphatic chains. The tert-butyl ester group offers excellent bench stability and facile deprotection under mild acidic conditions, while the terminal hydroxyl moiety supports standard transformations including oxidation, protection, and coupling reactions. Its structure facilitates integration into complex molecular architectures, particularly in the synthesis of bioactive molecules and polymer precursors requiring controlled hydrophilicity and chain length.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.661
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   7

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