Sodium pentanoate-d11 | CAS 223134-74-5

OVERVIEW  of  Sodium pentanoate-d11 | CAS 223134-74-5

Sodium pentanoate-d₁₁ is a fully deuterated analog of sodium pentanoate, with the molecular formula C₅D₁₁NaO₂ and a molecular weight of 132.16 g/mol. In this isotopically labeled compound, all hydrogen atoms in the pentanoate backbone are replaced by deuterium, providing a distinctive mass signature for analytical and tracing studies.

This compound serves as a stable isotope-labeled internal standard used widely in metabolomics, lipidomics, environmental chemistry, and pharmaceutical analysis. Its strong chemical similarity to native sodium pentanoate allows it to behave identically in chromatographic separations, while the isotopic shift enables accurate quantification and differentiation using GC-MS or LC-MS techniques.

Sodium pentanoate-d₁₁ is a preferred reference material for tracing short- to medium-chain fatty acid metabolism, validating analytical methods, and quantifying carboxylate species in biological fluids and environmental matrices.

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CHEMICAL INFORMATION

• Name: Sodium pentanoate-d₁₁

• CAS Number: 223134-74-5

• Molecular Formula: C₅D₁₁NaO₂

• Molecular Weight: 132.16 g/mol

• Isotopic Enrichment: ≥98 atom % D

• Chemical Class: Deuterated carboxylate salt / fatty acid salt

• Solubility: Freely soluble in water and methanol; insoluble in nonpolar solvents

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APPLICATIONS  of  Sodium pentanoate-d11 | CAS 223134-74-5

1. Stable Isotope-Labeled Internal Standard:
Sodium pentanoate-d₁₁ is extensively used as an internal standard in mass spectrometric analyses for quantifying pentanoic acid, its derivatives, and related volatile fatty acids. The presence of deuterium atoms provides a measurable mass shift that allows for highly accurate isotope dilution quantitation in both GC-MS and LC-MS assays.

2. Metabolic Tracer for Short-Chain Fatty Acid Studies:
In metabolic and biochemical research, this deuterated compound serves as a non-radioactive tracer to study short-chain fatty acid (SCFA) metabolism, gut microbiota activity, and energy metabolism. It is especially useful in experiments exploring fatty acid oxidation pathways and carbon flux through β-oxidation cycles.

3. Analytical Standard for Method Validation:
Analytical laboratories utilize Sodium pentanoate-d₁₁ for calibration, validation, and quality assurance in chromatographic and spectrometric methods. Its stable isotopic nature ensures reproducibility, precision, and long-term data consistency.

4. Environmental and Food Chemistry Applications:
It is employed in the quantitative detection of organic acids in environmental samples, fermentation media, and food matrices. The deuterium label enhances analytical accuracy when differentiating between natural and spiked analytes.

5. Pharmaceutical and Biomedical Research:
Sodium pentanoate-d₁₁ aids in pharmacokinetic and metabolic studies involving carboxylate compounds. It helps trace the metabolic fate of drug molecules that undergo fatty acid conjugation or degradation, offering insight into drug metabolism and excretion profiles.

6. Lipidomics and Metabolomics:
Due to its stable isotope labeling, this compound is essential in metabolomic profiling and lipidomic investigations, where it serves as a quantitative marker for low-molecular-weight fatty acids in plasma, urine, and tissue extracts.

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ADVANTAGES  of  Sodium pentanoate-d11 | CAS 223134-74-5

• High Deuterium Enrichment (≥98 atom % D): Ensures clear mass differentiation in MS-based assays.

• Excellent Chemical Stability: Resistant to isotopic exchange under standard storage conditions.

• Accurate Quantitation: Ideal for isotope dilution mass spectrometry (IDMS).

• Safe and Non-Radioactive: Suitable for use in biological systems and regulatory environments.

• Chemically Equivalent to Native Salt: Provides identical chromatographic and physicochemical behavior.

• Enhanced Reproducibility: Reduces variability across analytical and biological replicates.

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SUMMARY
Sodium pentanoate-d₁₁ (CAS 223134-74-5) is a deuterium-labeled sodium salt of pentanoic acid, engineered for precise isotopic tracing and quantitation. With its high isotopic purity and exceptional stability, it is a powerful analytical tool for studying fatty acid metabolism, short-chain carboxylic acid quantification, and metabolomic profiling.

It serves as an indispensable internal standard and tracer compound in GC-MS, LC-MS, and metabolic flux studies, providing unmatched accuracy in the measurement of pentanoate and related compounds. Its role in lipidomics and biochemistry extends to research on energy homeostasis, microbial metabolism, and gut–host biochemical interactions.

At ResolveMass Laboratories Inc., Sodium pentanoate-d₁₁ is synthesized with stringent isotopic and purity specifications, ensuring reliable performance and reproducibility for demanding analytical workflows. Its combination of chemical fidelity, isotopic enrichment, and analytical versatility makes it a cornerstone reagent for laboratories seeking high-precision quantitation and metabolic tracing solutions.

 

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