n-Hexyl-2,2,3,3,4,4,5,5,6,6,6-d11 Alcohol | CAS 2159-18-4

OVERVIEW  of  n-Hexyl-2,2,3,3,4,4,5,5,6,6,6-d11 Alcohol | CAS 2159-18-4

n-Hexyl-2,2,3,3,4,4,5,5,6,6,6-d₁₁ alcohol (CAS 2159-18-4) is a deuterium-labeled analog of n-hexanol, in which all hydrogens on the alkyl chain are replaced by deuterium atoms. This isotopically enriched compound is primarily used as an internal standard and tracer molecule in analytical chemistry, particularly in mass spectrometry (MS) and nuclear magnetic resonance (NMR) studies. It maintains identical chemical and physical properties to its non-labeled form, making it ideal for quantitative and comparative analyses of alcohols and related organic compounds.

CHEMICAL INFORMATION

• Name: n-Hexyl-d₁₁ alcohol

• Molecular Formula: C₆D₁₁OH

• Molecular Weight: 113.24 g/mol

• CAS Number: 2159-18-4

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated primary alcohol

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

APPLICATIONS  of  n-Hexyl-2,2,3,3,4,4,5,5,6,6,6-d11 Alcohol | CAS 2159-18-4

• Mass Spectrometry (MS) Internal Standard:
  Widely used as a stable isotope-labeled reference compound in GC-MS or LC-MS for accurate quantification of n-hexanol and related alcohols in environmental, biological, and industrial samples.

• Stable Isotope Tracer Studies:
  Used in metabolic and biochemical research to trace alcohol oxidation, fatty alcohol metabolism, and synthetic pathways.

• Analytical Chemistry and Quality Control:
  Ideal for method validation, calibration, and recovery efficiency assessments in volatile organic compound (VOC) and flavor analysis.

• NMR Spectroscopy:
  Serves as a reference or tracer molecule in ²H NMR and ¹H NMR suppression studies due to its complete deuteration on the carbon chain.

• Environmental and Industrial Testing:
  Utilized for the analysis of solvent residues, biofuels, and fragrance components under controlled experimental conditions.

ADVANTAGES   of  n-Hexyl-2,2,3,3,4,4,5,5,6,6,6-d11 Alcohol | CAS 2159-18-4

• High isotopic enrichment (≥98 atom % D) ensures precise mass differentiation.

• Chemically identical to native n-hexanol, ensuring accurate chromatographic co-elution.

• Excellent stability under normal laboratory storage and analytical conditions.

• Suitable for both qualitative and quantitative isotope dilution assays.

HANDLING AND SAFETY

• Handling Precautions: Avoid inhalation, ingestion, and skin or eye contact.

• Personal Protection: Use gloves, lab coat, and eye protection.

• Storage: Keep sealed in amber glass under dry conditions.

• Stability: Stable under recommended storage; avoid strong oxidizing agents.

• Disposal: Dispose of according to local environmental and chemical waste regulations.

SUMMARY
n-Hexyl-2,2,3,3,4,4,5,5,6,6,6-d₁₁ alcohol (CAS 2159-18-4) is a high-purity deuterated primary alcohol designed for isotope-labeled quantification, analytical method validation, and metabolic tracing. Its chemical equivalence to native n-hexanol, combined with its stable isotope labeling, makes it an essential tool in mass spectrometry-based research, quality control, and biochemical investigations.