Hexanoic-2,2-d2 Acid | CAS 55320-65-5

OVERVIEW  of  Hexanoic-2,2-d2 Acid | CAS 55320-65-5

Hexanoic-2,2-d₂ acid (CAS 55320-65-5) is a partially deuterated analog of hexanoic acid (caproic acid), a six-carbon straight-chain fatty acid. In this isotopically labeled compound, two hydrogen atoms at the second carbon position are replaced by deuterium, providing a distinct mass shift useful in mass spectrometric (MS) and nuclear magnetic resonance (NMR) analyses. Hexanoic-2,2-d₂ acid is widely utilized in metabolomic research, lipid oxidation studies, and quantitative isotope dilution analysis to trace and quantify medium-chain fatty acids and their metabolic derivatives.

CHEMICAL INFORMATION

• Name: Hexanoic-2,2-d₂ acid

• Molecular Formula: C₆H₁₀D₂O₂

• Molecular Weight: 120.18 g/mol

• CAS Number: 55320-65-5

• Isotopic Enrichment: ≥ 98 atom % D (at C2 position)

• Chemical Class: Deuterated carboxylic acid

• Solubility: Slightly soluble in water; miscible with organic solvents such as ethanol, ether, and chloroform

APPLICATIONS  of  Hexanoic-2,2-d2 Acid | CAS 55320-65-5

• Mass Spectrometry (MS) Internal Standard:
  Extensively used as a reference or internal standard in GC-MS and LC-MS analysis for quantitative determination of hexanoic acid and its derivatives in biological fluids, food, and environmental samples.

• Stable Isotope Labeling Studies:
  Enables tracing of fatty acid metabolism and lipid oxidation pathways, allowing researchers to monitor the biochemical transformation and degradation of medium-chain fatty acids.

• Metabolomic and Lipidomic Research:
  Used to study energy metabolism, ketone body formation, and oxidative stress by serving as a labeled analog for tracking fatty acid intermediates.

• Analytical Method Development:
  Applied in method calibration and validation for quantifying volatile fatty acids in complex matrices, improving accuracy and reproducibility of analytical data.

• Environmental and Industrial Chemistry:
  Useful for investigating biodegradation processes of aliphatic acids and understanding their environmental fate and transformation.

ADVANTAGES  of  Hexanoic-2,2-d2 Acid | CAS 55320-65-5

• High isotopic purity for accurate isotope ratio measurement in analytical assays.

• Chemically identical to native hexanoic acid, ensuring comparable physicochemical behavior.

• Provides distinct mass shift in MS spectra for clear identification and quantification.

• Compatible with a wide range of analytical systems, including GC-MS, LC-MS, and NMR spectroscopy.

HANDLING AND SAFETY

• Handling Precautions: Avoid inhalation and contact with skin or eyes; handle in a well-ventilated area.

• Protective Equipment: Use gloves, protective eyewear, and lab coat.

• Storage: Keep container tightly sealed in a cool, dry environment.

• Stability: Stable under normal laboratory conditions; avoid prolonged exposure to light and moisture.

• Disposal: Dispose of waste material in accordance with local chemical safety and environmental regulations.

SUMMARY
Hexanoic-2,2-d₂ acid (CAS 55320-65-5) is a selectively deuterated medium-chain fatty acid designed for analytical, biochemical, and environmental research applications. Its stable isotopic labeling, high chemical purity, and mass spectrometric distinctiveness make it an essential tool for quantitative metabolomics, lipid pathway tracing, and reference standard use in modern analytical chemistry laboratories.