1,3-Propanediol-d6 | CAS 284474-77-7

OVERVIEW  of  1,3-Propanediol-d6 | CAS 284474-77-7

1,3-Propanediol-d₆ (CAS 284474-77-7) is a fully deuterated analog of 1,3-propanediol, in which all six hydrogen atoms are replaced with deuterium. This compound maintains the same structural and physicochemical properties as its non-deuterated form, while offering a mass shift of +6 Da, making it an invaluable tool in analytical chemistry, isotope tracing, and spectroscopic research.

As a stable isotope-labeled compound, 1,3-Propanediol-d₆ is widely used as an internal standard in mass spectrometry (MS), a reference material in NMR spectroscopy, and a tracer in metabolic and reaction mechanism studies. Its deuterated nature minimizes proton interference, allowing enhanced analytical precision, reproducibility, and accuracy in quantitative and structural investigations.

CHEMICAL INFORMATION

• Name: 1,3-Propanediol-d₆

• Molecular Formula: C₃D₆O₂

• Molecular Weight: 82.13 g/mol

• CAS Number: 284474-77-7

• Isotopic Labeling: Fully deuterated; all six hydrogen atoms replaced with deuterium

• Chemical Class: Deuterated diol; stable isotope-labeled compound

• Stability: Highly stable under normal laboratory conditions

APPLICATIONS  of  1,3-Propanediol-d6 | CAS 284474-77-7

• Mass Spectrometry (MS) Internal Standard:
  Used as a quantitative reference compound in GC-MS and LC-MS analyses for accurate detection and quantification of 1,3-propanediol and related compounds in biological and industrial samples.

• NMR Spectroscopy:
  The deuteration eliminates proton interference in ¹H NMR spectra, improving clarity and enabling reliable ²H NMR characterization.

• Metabolic and Biochemical Research:
  Serves as a stable isotope tracer in studies of metabolic flux, biochemical pathways, and hydrogen exchange processes in microorganisms and cell systems.

• Reaction Mechanism Studies:
  Applied in isotope effect and kinetic investigations to explore hydrogen transfer, reduction reactions, and catalytic mechanisms in organic and enzymatic systems.

• Calibration and Analytical Method Development:
  Acts as an internal or external calibration standard for analytical method validation, ensuring reproducibility in isotope dilution assays and quantitative MS applications.

ADVANTAGES  of  1,3-Propanediol-d6 | CAS 284474-77-7

• Distinct +6 Da mass shift enables unambiguous differentiation from unlabeled 1,3-propanediol.

• Chemically identical to the native compound, ensuring consistent chromatographic and reactivity behavior.

• High chemical and isotopic purity, ensuring superior analytical accuracy.

• Non-toxic, non-radioactive, and stable under storage and analytical conditions.

• Compatible with both aqueous and organic analytical systems.

HANDLING, STORAGE & SAFETY

• Handling: Avoid inhalation or direct contact; use gloves and standard protective laboratory equipment.

• Storage: Store in tightly closed containers at 2–8 °C in a cool, dry environment.

• Safety: Low toxicity; may cause mild irritation to skin or eyes.

• Disposal: Dispose of waste according to institutional and environmental guidelines for organic materials.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Physical State: Liquid

• Analytical Verification: Confirmed by ¹H NMR, ²H NMR, and GC-MS

• Certificate of Analysis (CoA): Supplied with every batch, verifying purity and isotopic labeling

SUMMARY
1,3-Propanediol-d₆ (CAS 284474-77-7) is a highly deuterated, stable isotope-labeled analog of 1,3-propanediol designed for quantitative mass spectrometry, metabolic tracing, and NMR applications. Its complete deuteration provides a strong isotopic signal, ensuring enhanced analytical resolution and accuracy. Owing to its excellent chemical stability, isotopic enrichment, and compatibility with diverse analytical systems, it serves as an essential standard and tracer for advanced chemical, biochemical, and pharmaceutical research.

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