Isovaleric-d9-acid | CAS 344298-81-3

OVERVIEW  of  Isovaleric-d9-acid | CAS 344298-81-3

Isovaleric-d₉-acid is the fully deuterated analog of isovaleric acid (3-methylbutanoic acid), in which all nine hydrogen atoms of the three methyl groups are replaced by deuterium. This isotopic substitution yields a distinct mass difference that makes the compound a highly effective internal standard and analytical reference in advanced mass spectrometry and NMR studies.

Because of its branched-chain structure and strong odor characteristics, isovaleric acid and its isotopologues are frequently studied in biochemical, environmental, and industrial contexts. The deuterated form, Isovaleric-d₉-acid, offers enhanced analytical precision for the quantification of volatile fatty acids (VFAs), fermentation products, and metabolic intermediates. It is particularly valuable in isotope dilution GC-MS and LC-MS analyses, where it ensures accurate quantification of native isovaleric acid in complex biological and environmental matrices.

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CHEMICAL INFORMATION

• Name: Isovaleric-d₉-acid

• CAS Number: 344298-81-3

• Molecular Formula: C₅D₉O₂

• Molecular Weight: 111.12 g/mol

• Isotopic Enrichment: ≥98% D

• Chemical Class: Deuterated branched-chain fatty acid

• Solubility: Miscible with organic solvents; limited solubility in water

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APPLICATIONS  of  Isovaleric-d9-acid | CAS 344298-81-3
Isovaleric-d₉-acid serves as a highly valuable isotope-labeled compound across numerous scientific disciplines:

• Quantitative Mass Spectrometry (GC-MS / LC-MS):
  Employed as an internal standard for the quantification of isovaleric acid and other short-chain fatty acids in biological fluids, fermentation broths, and environmental samples.

• Metabolomics and Biochemical Studies:
  Used to trace metabolic pathways involving branched-chain amino acids (particularly leucine catabolism) and volatile fatty acid biosynthesis.

• Isotope Dilution Studies:
  Enables highly accurate and reproducible quantification through isotope dilution mass spectrometry (IDMS), where precise mass differences between labeled and unlabeled species are essential.

• Environmental Monitoring:
  Facilitates identification and quantification of organic acid pollutants in soil, water, and air, providing stable reference data for environmental testing.

• Flavor and Fragrance Research:
  Assists in tracking biosynthesis and degradation of odor-active compounds in food, beverage, and microbial systems.

• Reaction Mechanism and Kinetic Studies:
  Enables examination of hydrogen–deuterium exchange and isotope effects in organic and biochemical reactions.

• Analytical Method Validation:
  Commonly incorporated as a calibration compound in analytical workflows to verify linearity, precision, and reproducibility.

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ADVANTAGES  of  Isovaleric-d9-acid | CAS 344298-81-3

• High Isotopic Purity (≥98% D): Ensures clear, interference-free separation from the native compound during mass spectral analysis.

• Excellent Thermal and Chemical Stability: Suitable for high-temperature analytical methods such as GC without isotopic degradation.

• Accurate Quantification: Provides a reliable calibration point in complex biological matrices and multi-component systems.

• Reduced Odor and Volatility: Easier handling in laboratory environments compared to the non-labeled analog.

• Consistent Analytical Performance: Stable across long-term storage and multiple analytical runs, ensuring reproducibility.

• Versatile Compatibility: Works effectively in gas-phase, liquid-phase, and NMR-based analytical techniques.

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SUMMARY
Isovaleric-d₉-acid (CAS 344298-81-3) is a fully deuterated, high-purity isotope-labeled analog of isovaleric acid designed for use in quantitative mass spectrometry, isotope dilution studies, and metabolic research. The substitution of all nine hydrogens with deuterium imparts a significant and stable mass shift, facilitating precise analytical discrimination and quantification. Its thermal and chemical stability make it an ideal internal standard for GC-MS and LC-MS methods analyzing volatile and branched-chain carboxylic acids.

At ResolveMass Laboratories Inc., Isovaleric-d₉-acid represents a trusted choice for laboratories seeking dependable isotopic standards that deliver reproducibility, sensitivity, and clarity in analytical and biochemical investigations.

 

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