n-Butyl-2,2,3,3,4,4,4-d7 Alcohol | CAS 91732-68-2

OVERVIEW  of  n-Butyl-2,2,3,3,4,4,4-d7 Alcohol | CAS 91732-68-2

n-Butyl-2,2,3,3,4,4,4-d₇ alcohol (CAS 91732-68-2) is a heavily deuterated analog of n-butanol, where seven hydrogen atoms on the butyl chain are replaced with deuterium. This isotopically enriched compound is widely used in quantitative mass spectrometry, environmental VOC analysis, and biochemical tracer studies. Because it mimics the physicochemical properties of native n-butanol while providing a distinct mass shift, it serves as an ideal internal standard for accurate isotope-dilution workflows.

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CHEMICAL INFORMATION

• Name: n-Butyl-d₇ alcohol

• Molecular Formula: C₄D₇OH

• Molecular Weight: 81.17 g/mol

• CAS Number: 91732-68-2

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated primary alcohol

• Appearance: Clear, colorless liquid

• Boiling Point: ~116–118 °C

• Density: ~0.83 g/mL (approx.)

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

• Storage Conditions: Store in a cool, dry, sealed container; protect from moisture and light

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APPLICATIONS  of  n-Butyl-2,2,3,3,4,4,4-d7 Alcohol | CAS 91732-68-2

• Mass Spectrometry Internal Standard:
  Extensively used in GC-MS and LC-MS for quantifying n-butanol and related volatile organic compounds. Its strong isotopic signal ensures precise mass separation for reliable quantitation.

• Environmental VOC and Industrial Monitoring:
  Supports measurement of butanol emissions, solvent residues, and industrial byproducts in air, water, and material matrices.

• Metabolic and Biochemical Tracer Studies:
  Provides a stable isotope tracer for studying alcohol metabolism, enzymatic oxidation pathways, and physiological VOC production.

• Analytical Method Development:
  Ideal for calibration curve preparation, extraction efficiency determination, spike-and-recovery studies, and method validation.

• NMR Applications:
  Deuteration enhances utility in ²H NMR experiments and suppresses proton background signals in complex mixtures.

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ADVANTAGES  of  n-Butyl-2,2,3,3,4,4,4-d7 Alcohol | CAS 91732-68-2

• High isotopic enrichment ensures excellent mass resolution from native compounds.

• Nearly identical physical and chemical behavior to unlabeled n-butanol supports co-elution and accurate normalization.

• Stable, easy to handle, and well-suited for long-term use in analytical laboratories.

• Compatible with a wide range of analytical platforms and sample matrices.

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HANDLING AND SAFETY

• Handling: Avoid inhalation and contact with skin or eyes; work in well-ventilated areas.

• PPE: Use gloves, lab coat, and standard eye protection.

• Stability: Stable under typical laboratory conditions; avoid strong oxidizers.

• Disposal: Dispose according to institutional and regional guidelines for organic solvents.

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SUMMARY
n-Butyl-2,2,3,3,4,4,4-d₇ alcohol (CAS 91732-68-2) is a high-purity deuterated primary alcohol optimized for mass spectrometric quantification, VOC analysis, and metabolic research. Its high deuterium content provides excellent analytical distinction, while its chemical fidelity to native n-butanol ensures accuracy, reproducibility, and robust performance in advanced analytical workflows.

 

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