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CS-W001157 4
Total: USD 88.00

3,5,5-Trimethylhexanoic acid

  • CAS No. 3302-10-1

  • Cat. No. CS-0077120
  • Purity≥98%
  • MDL No.MFCD00020507

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

3,5,5-Trimethylhexanoic acid|CS-0077120

Structure of 3302-10-1

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General Information

  • CAS No. 3302-10-1
  • Cat. No. CS-0077120
  • Purity ≥98%
  • MDL No. MFCD00020507
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈O₂
  • Molecular Weight 158.24
  • Synonym(s) 3,3,5-TRIMETHYLHEXANOIC ACID; 3,5,5-trimethylhexanoic acid
  • SMILES CC(C)(C)CC(C)CC(O)=O

Description

This branched aliphatic acid features a sterically hindered tertiary carbon center, enhancing its resistance to oxidation and thermal degradation. Its hydrophobic structure facilitates integration into lipid-based systems, while the carboxylic acid group enables straightforward derivatization for synthetic or conjugation applications under standard conditions.

Application

3,5,5-Trimethylhexanoic acid serves as a valuable chiral building block in synthetic organic chemistry, offering enhanced steric bulk and metabolic stability. Its branched alkyl chain facilitates selective functionalization and enables the construction of complex tertiary alcohols and substituted heterocycles. The carboxylic acid functionality provides a reliable handle for derivatization, while the molecule's bench stability and ease of purification support scalable synthesis workflows.

Synthesis

  • Route1
    • null|null
      5435-64-3
    • ~99%
    • In-stock
      3,5,5-Trimethylhexanoic acid|CS-0077120
      3302-10-1

    References

    • Celanese Chemicals Europe GmbH Patent: EP1657230 A1, 2006 ; Location in patent: Page/Page column 10-11 ;
  • Route2
    • null|null
      5435-64-3
    • ~4%
    • 3,5,5-Trimethylhexanamide|CS-0973869
      90726-43-5
    • In-stock
      3,5,5-Trimethylhexanoic acid|CS-0077120
      3302-10-1

    References

    • Angewandte Chemie - International Edition, , vol. 46, # 27 p. 5202 - 5205
  • Route3
    • null|null
      90252-84-9
    • ~%
    • In-stock
      3,5,5-Trimethylhexanoic acid|CS-0077120
      3302-10-1

    References

    • Justus Liebigs Annalen der Chemie, , vol. 661, p. 111 - 157

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-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   37.3
  • LogP   2.5334
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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