2,3-Butanediol-d6 (mixture of stereoisomers) | CAS 344750-80-7

OVERVIEW
2,3-Butanediol-d₆ is a fully deuterated analogue of 2,3-butanediol, an important organic compound used widely in biochemical, industrial, and analytical research. In this isotopically enriched variant, all six exchangeable hydrogen atoms in the molecular structure are replaced by deuterium, providing a +6 Da molecular mass increase without altering its physicochemical properties or reactivity.

This deuterated diol is particularly valuable as an internal standard in quantitative mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. It exhibits identical chemical behavior to its non-deuterated counterpart, ensuring accurate correlation during isotope-dilution analysis, calibration, and reaction mechanism studies.

Owing to its structural simplicity, polarity, and isotopic precision, 2,3-Butanediol-d₆ serves as a reliable standard for determining alcohols, glycols, and fermentation byproducts in chemical, environmental, and biochemical systems. ResolveMass Laboratories Inc. produces this compound to the highest isotopic and analytical purity standards, ensuring consistent performance for both routine and advanced research applications.

CHEMICAL INFORMATION

• Name: 2,3-Butanediol-d₆

• Molecular Formula: C₄D₆O₂

• Molecular Weight: 96.11 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

• CAS Number: 344750-80-7

• Stability: Stable under ambient conditions; avoid strong oxidizing agents

Structurally, 2,3-Butanediol-d₆ retains the chiral vicinal diol framework of the native compound, comprising two hydroxyl groups at the 2- and 3-positions of the butane backbone. The deuterium substitution replaces the hydrogens on both carbon centers and hydroxyl positions, resulting in a stable isotopic label suitable for high-sensitivity analytical techniques.

APPLICATIONS  Of  2,3-Butanediol-d6 (mixture of stereoisomers) | CAS 344750-80-7
2,3-Butanediol-d₆ is a versatile stable isotope-labelled compound with broad applications across chemical, biochemical, and environmental disciplines. Its principal uses include:

1. Internal Standard in Mass Spectrometry (MS):
   Widely used in GC-MS and LC-MS analyses, 2,3-Butanediol-d₆ serves as an internal standard for quantifying 2,3-butanediol and related diols in fermentation, food, and environmental samples. The +6 Da mass difference ensures clear isotopic separation while maintaining identical chromatographic properties.

2. NMR Spectroscopy:
   Utilized as an NMR solvent reference and in the calibration of deuterium-related chemical shifts. The compound is also used in isotopic substitution experiments to investigate hydrogen bonding and molecular interactions in diols and aqueous systems.

3. Fermentation and Metabolic Studies:
   2,3-Butanediol is a key metabolite in microbial fermentation pathways. The deuterated version enables metabolic tracing to study biochemical conversion mechanisms, microbial isotopic fractionation, and carbon flow in fermentation processes.

4. Reaction Mechanism and Kinetic Isotope Effect Studies:
   The replacement of hydrogen with deuterium alters vibrational energy levels, allowing chemists to study kinetic isotope effects in oxidation, dehydration, and catalytic transformations involving vicinal diols.

5. Environmental and Industrial Analysis:
   Used in the trace analysis of industrial effluents, solvent residues, and degradation products. Its isotopic signature facilitates precise quantitation in environmental samples and aids in validating green chemistry and biofuel conversion processes.

6. Calibration and Quality Assurance:
   Serves as a reference standard in analytical quality control to ensure accuracy in quantifying alcohol and glycol content in complex matrices.

ADVANTAGES

• High Isotopic Purity: ≥ 98 atom % deuterium ensures exceptional reliability in isotope-dilution analysis.

• Structural and Chemical Equivalence: Exhibits identical chromatographic and spectroscopic behavior as non-deuterated 2,3-butanediol.

• Distinct Mass Shift (M+6): Enables unambiguous detection and quantification in MS applications.

• Excellent Stability: Resistant to thermal degradation and suitable for long-term storage.

• Broad Analytical Compatibility: Performs effectively in GC-MS, LC-MS, and NMR spectroscopy.

• Ideal for Biochemical Tracing: Enables isotopic tracking in microbial and enzymatic reaction pathways.

HANDLING
2,3-Butanediol-d₆ is considered to have low acute toxicity but should be handled using standard laboratory precautions. As a hygroscopic compound, it readily absorbs moisture and should be stored properly to maintain isotopic integrity.

• Use in a clean, dry environment with adequate ventilation.

• Avoid prolonged exposure to air or moisture.

• Wear protective gloves, goggles, and lab coat during handling.

• Prevent contact with strong acids, oxidizing agents, and bases.

QUALITY & DOCUMENTATION
2,3-Butanediol-d₆ supplied by ResolveMass Laboratories Inc. is synthesized using controlled isotopic exchange and reduction techniques to achieve high isotopic purity and chemical consistency. Each production batch is verified by advanced analytical methods such as GC-MS, NMR, and IR spectroscopy to confirm identity, enrichment, and purity.

Each shipment includes:

• Certificate of Analysis (COA): Verifying isotopic enrichment, purity, and structural confirmation.

• Safety Data Sheet (SDS): Detailing handling and hazard information.

• Batch Traceability Documentation: Ensuring reproducibility for regulatory and analytical compliance.

ResolveMass Laboratories Inc. ensures that all deuterated reference compounds, including 2,3-Butanediol-d₆, meet stringent international standards for isotopic integrity, analytical precision, and long-term stability.

SUMMARY
2,3-Butanediol-d₆ is a fully deuterated vicinal diol developed for advanced analytical and research applications. Its isotopic uniformity, stability, and structural equivalence to 2,3-butanediol make it an essential standard for quantitative MS, NMR, and kinetic studies.

By combining high isotopic enrichment with rigorous quality assurance, ResolveMass Laboratories Inc. provides 2,3-Butanediol-d₆ as a trusted isotope-labelled reference material for laboratories engaged in chemical, environmental, and biochemical research.