Hexanoic-d11-acid | CAS 95348-44-0

OVERVIEW  of  Hexanoic-d11-acid | CAS 95348-44-0

Hexanoic-d₁₁-acid, also known as caproic-d₁₁ acid, is a fully deuterated medium-chain fatty acid with the molecular formula C₆D₁₁O₂ and a molecular weight of 121.20 g/mol. This compound is the isotopically labeled version of hexanoic acid, in which all hydrogen atoms in the carbon backbone are replaced with deuterium.

Due to its high isotopic purity and chemical stability, Hexanoic-d₁₁-acid serves as an invaluable stable isotope-labeled standard for mass spectrometry (MS) applications, including GC-MS and LC-MS. It provides an ideal reference for the quantification, identification, and tracing of medium-chain fatty acids in biochemical, environmental, and industrial samples.

This deuterated compound closely mimics the physical and chemical behavior of native hexanoic acid, making it indispensable in lipidomics, metabolomics, and metabolic flux analysis. Researchers and analytical chemists use it to investigate fatty acid oxidation, biosynthesis, and energy metabolism pathways with high precision.

CHEMICAL INFORMATION

• Name: Hexanoic-d₁₁-acid

• CAS Number: 95348-44-0

• Molecular Formula: C₆D₁₁O₂

• Molecular Weight: 127.23 g/mol

• Isotopic Enrichment: ≥98 atom % D

• Chemical Class: Deuterated medium-chain fatty acid

• Solubility: Insoluble in water; soluble in methanol, ethanol, and other organic solvents

APPLICATIONS  of  Hexanoic-d11-acid | CAS 95348-44-0

1. GC-MS and LC-MS Internal Standard:
Hexanoic-d₁₁-acid is widely used as an internal standard in gas chromatography–mass spectrometry (GC-MS) and liquid chromatography–mass spectrometry (LC-MS) analyses. The mass shift introduced by deuterium labeling enables precise quantification of hexanoic acid and related compounds, minimizing analytical variability and matrix effects.

2. Lipidomics and Fatty Acid Profiling:
As a fully deuterated analog of hexanoic acid, this compound plays a crucial role in lipidomic investigations. It assists researchers in profiling fatty acids, tracing their metabolic fate, and understanding lipid turnover within biological systems such as plasma, tissues, and microbial cultures.

3. Metabolic Tracer in Biochemical Studies:
Hexanoic-d₁₁-acid functions as a non-radioactive isotopic tracer, offering a safe and accurate way to monitor metabolic pathways like β-oxidation and lipid biosynthesis. It allows for kinetic modeling of fatty acid utilization and turnover, particularly in metabolic flux analysis.

4. Environmental and Food Testing:
Analytical laboratories employ Hexanoic-d₁₁-acid as a reference compound for detecting and quantifying fatty acids in environmental matrices, food products, and biological samples. It enhances data accuracy during contamination studies, flavor profiling, and quality control testing.

5. Pharmaceutical and Industrial Research:
In pharmaceutical research, it supports the development of lipid-based formulations and bioavailability studies. Its isotopic label also aids in tracing the stability and distribution of fatty acid derivatives in drug metabolism research.

6. Method Validation and Calibration:
Due to its high isotopic purity and reproducibility, Hexanoic-d₁₁-acid is ideal for method validation in chromatographic systems, ensuring the reliability and consistency of analytical data in both qualitative and quantitative workflows.

ADVANTAGES  of  Hexanoic-d11-acid | CAS 95348-44-0

• High Isotopic Purity (≥98 atom % D): Provides distinct mass differentiation for accurate isotope dilution analysis.

• Chemically Equivalent to Native Acid: Ensures identical chromatographic retention and behavior for precise quantification.

• Non-Radioactive and Environmentally Safe: Suitable for laboratory and research use without hazardous concerns.

• Enhanced Analytical Accuracy: Reduces matrix interference and improves reproducibility across samples.

• Versatile Analytical Utility: Applicable in lipidomics, metabolomics, pharmaceuticals, and food sciences.

• Long-Term Stability: Resistant to isotopic exchange and degradation under proper storage conditions.

SUMMARY
Hexanoic-d₁₁-acid (CAS 95348-44-0) is a fully deuterium-labeled medium-chain fatty acid designed for advanced analytical chemistry, metabolic research, and quantitative lipid analysis. It serves as a critical internal standard and isotopic tracer in GC-MS and LC-MS platforms, enabling high-precision quantification and metabolic pathway tracing.

By mirroring the physicochemical properties of native hexanoic acid while providing a unique isotopic signature, Hexanoic-d₁₁-acid delivers unmatched accuracy, reproducibility, and reliability in complex biological and industrial matrices. It is especially valuable in fatty acid metabolism, energy regulation studies, and lipid biosynthesis research.

At ResolveMass Laboratories Inc., this compound is synthesized and tested under rigorous quality standards to ensure exceptional isotopic purity and analytical performance. Its robust stability, consistent behavior, and high labeling efficiency make Hexanoic-d₁₁-acid an indispensable reference material for researchers and laboratories pursuing precise and reproducible analytical results.

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