Pentanoic-d9-acid | CAS 115871-50-6

OVERVIEW  of  Pentanoic-d9-acid | CAS 115871-50-6

Pentanoic-d₉-acid, also known as valeric-d₉-acid, is a deuterium-labeled analog of natural pentanoic acid. With the molecular formula C₅D₉COOH and a molecular weight of 122.23 g/mol, this compound features nine deuterium atoms replacing hydrogen atoms within the pentyl chain. The isotopic substitution provides a distinct mass shift that makes it ideal for analytical and tracing studies involving fatty acids, metabolic fluxes, and isotopic quantitation.

As a stable isotope-labeled compound, Pentanoic-d₉-acid maintains identical chemical and physical properties to its unlabeled counterpart, allowing it to serve as an internal standard or tracer molecule in GC-MS, LC-MS, and NMR spectroscopy applications. Its deuterium enrichment ensures reliable differentiation in mass spectra and supports accurate quantification of short- to medium-chain carboxylic acids in biological, environmental, and industrial samples.

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CHEMICAL INFORMATION

• Name: Pentanoic-d₉-acid

• CAS Number: 115871-50-6

• Molecular Formula: C₅D₉COOH

• Molecular Weight: 111.19 g/mol

• Isotopic Enrichment: ≥98 atom % D

• Chemical Class: Deuterated short-chain fatty acid

• Solubility: Miscible with ethanol, ether, and most organic solvents; slightly soluble in water

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APPLICATIONS  of  Pentanoic-d9-acid | CAS 115871-50-6

1. Stable Isotope-Labeled Internal Standard:
Pentanoic-d₉-acid is widely used as an internal standard for quantification of pentanoic acid and related volatile fatty acids in complex matrices. The isotopic labeling enables precise mass spectral separation from the native compound, improving analytical accuracy in GC-MS and LC-MS/MS assays.

2. Metabolomics and Fatty Acid Tracing:
As a non-radioactive tracer, Pentanoic-d₉-acid is employed in metabolic flux analysis to study pathways of short-chain fatty acid metabolism, β-oxidation, and lipid turnover. It is particularly valuable in investigations of gut microbiome activity, energy metabolism, and fatty acid biosynthesis.

3. Pharmaceutical and Biomedical Research:
In drug development and toxicology, Pentanoic-d₉-acid is used to monitor metabolic transformations and conjugation reactions involving fatty acids. It assists in identifying metabolites, quantifying endogenous fatty acid levels, and studying carboxylic acid biotransformation in plasma and tissue samples.

4. Environmental and Food Chemistry:
Deuterated valeric acid is a reliable analytical reference for quantifying volatile organic acids in environmental, fermentation, and food quality studies. It ensures reproducibility and method validation for trace analysis of SCFAs (short-chain fatty acids).

5. Calibration and Method Validation:
Owing to its high purity and isotopic stability, Pentanoic-d₉-acid is ideal for use in the calibration of analytical instruments, method development, and performance verification in analytical laboratories employing mass spectrometry or isotopic ratio analysis.

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ADVANTAGES

• High Deuterium Content (≥98 atom % D): Provides clear isotopic distinction for accurate quantitation.

• Non-Radioactive and Environmentally Safe: Suitable for routine use in research and quality control.

• Excellent Chemical and Thermal Stability: Ensures consistent performance and storage longevity.

• Chemically Identical to Native Pentanoic Acid: Enables accurate isotopic comparisons and tracer studies.

• Improved Analytical Precision: Reduces variability in mass spectrometric quantification and isotopic measurements.

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SUMMARY
Pentanoic-d₉-acid (CAS 115871-50-6) is a fully deuterated short-chain fatty acid designed for use in analytical chemistry, biochemistry, and metabolomic research. The compound’s deuterium labeling provides a distinct mass signature while maintaining the physical and chemical integrity of natural pentanoic acid, allowing it to serve as an ideal internal standard and stable isotope tracer.

In metabolic studies, it provides insight into fatty acid oxidation, energy metabolism, and microbial biosynthesis of SCFAs, while in analytical chemistry, it enhances precision in quantitative GC-MS and LC-MS assays. Its versatility makes it indispensable for laboratories involved in lipidomics, pharmacokinetics, environmental analysis, and food chemistry.

At ResolveMass Laboratories Inc., Pentanoic-d₉-acid is manufactured and quality-assured under strict isotopic and purity controls, ensuring high reproducibility and analytical reliability. With its balance of stability, isotopic integrity, and compatibility with advanced analytical systems, it remains a premier choice for scientists seeking robust and reproducible deuterated standards.

 

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