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CS-W001157 4
Total: USD 88.00

Sodium Isobutyrate

  • CAS No. 996-30-5

  • Cat. No. CS-0040347
  • Purity≥97%
  • MDL No.MFCD00045890

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

Sodium Isobutyrate|CS-0040347

Structure of 996-30-5

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General Information

  • CAS No. 996-30-5
  • Cat. No. CS-0040347
  • Purity ≥97%
  • MDL No. MFCD00045890
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇NaO₂
  • Molecular Weight 110.09
  • Synonym(s) Sodium 2-methylpropanoate
  • SMILES [Na].O=C(O)C(C)C

Description

Sodium isobutyrate delivers a compact, moisture-tolerant carboxylate anion ideal for buffering and pH modulation in biopharmaceutical formulations. This bench-stable salt integrates seamlessly into aqueous systems, offering predictable solubility and minimal ionic interference. Its branched alkyl structure enhances metabolic stability and reduces volatility during processing.

Application

Sodium isobutyrate serves as a stable, bench-ready source of the isobutyrate anion, enabling direct incorporation into esterification and amidation reactions under mild conditions. Its high solubility in aqueous and polar organic solvents facilitates efficient reaction setup and purification. Widely used in synthetic routes to bioactive molecules and pharmaceutical intermediates, it functions reliably in nucleophilic acyl substitution processes with minimal side reactivity.

Synthesis

  • Route1
    • N-Phenylisobutyramide|CS-1142373
      4406-41-1
    • ~%
    • In-stock
      Sodium Isobutyrate|CS-0040347
      996-30-5

    References

    • Journal of the American Chemical Society, , vol. 107, # 8 p. 2512 - 2521
  • Route2
    • null|null
      563-80-4
    • ~%
    • null|null
      50-00-0
    • In-stock
      Sodium Isobutyrate|CS-0040347
      996-30-5

    References

    • Tetrahedron, , vol. 38, # 16 p. 2591 - 2594
  • Route3
    • null|null
      97-62-1
    • ~%
    • null|null
      64-17-5
    • In-stock
      Sodium Isobutyrate|CS-0040347
      996-30-5

    References

    • Journal of Solution Chemistry, , vol. 19, # 12 p. 1175 - 1190

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   0.0785
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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