1,3-Propane-d6-diol | CAS 284474-77-7

OVERVIEW
1,3-Propane-d6-diol | CAS 284474-77-7 is a fully deuterated analogue of 1,3-propanediol in which all six hydrogen atoms on the carbon backbone are replaced with deuterium (D). This isotopically labeled diol is highly valued across pharmaceutical development, metabolomics, organic synthesis, and analytical research for its stability, predictable isotope distribution, and compatibility with both LC–MS and GC–MS workflows.

At ResolveMass Laboratories Inc., this compound is offered as a high-purity, research-grade material optimized for quantitative mass spectrometry applications, reaction tracing, and mechanistic studies. Its deuterium content provides excellent utility in internal standard development, kinetic isotope effect evaluation, and detailed structural elucidation.

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CHEMICAL INFORMATION

• Chemical Name: 1,3-Propane-d6-diol

• CAS Number: 284474-77-7

• Molecular Formula: C₃D₆O₂

• Molecular Weight: 84.12 g/mol

• Synonyms:

  • Propane-1,3-d6-diol

  • 1,3-Dideuteroxypropane-d6

  • Fully deuterated 1,3-propanediol

• Isotopic Enrichment: Typically >98% D content

• Structure: A three-carbon chain terminated by two hydroxyl groups, with all carbon-bound hydrogens substituted by deuterium.

The incorporation of deuterium significantly enhances mass spectral resolution and shifts, enabling clear differentiation between native and labeled analytes during complex MS analyses.

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KEY PROPERTIES
1,3-Propane-d6-diol demonstrates the desirable physicochemical properties of standard 1,3-propanediol while offering the enhanced analytical benefits that come with deuterium labeling:

• High isotopic stability: The C–D bond is stronger than the C–H bond, reducing exchange under typical laboratory conditions.

• Excellent solubility: Readily soluble in water, alcohols, and polar organic solvents.

• Low volatility: Suitable for precise weighing and stable handling.

• Thermal and chemical durability: Compatible with a wide range of reaction conditions.

• Clear mass shift: Ideal for MS quantitation and tracer studies.

These properties make 1,3-Propane-d6-diol a versatile tool for research environments requiring precise isotopic tracking and reproducible analytical data.

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

1. Internal Standard for LC–MS and GC–MS Quantitation
The deuterated backbone provides a distinct and stable mass shift that closely mimics the behavior of the non-labeled compound. This makes 1,3-Propane-d6-diol a reliable internal standard in quantitative assays involving polyols, glycol intermediates, alcohol-containing metabolites, and synthetic building blocks. It is particularly valuable in:

• Bioanalytical quantification workflows

• High-precision impurity profiling

• Metabolite tracking in pharmaceutical studies

• QC and batch consistency verification

2. Metabolic Tracing and Mechanistic Studies
Due to its robust deuterium labeling, this compound is frequently used to investigate biochemical transformation pathways, metabolic fluxes, and reaction intermediates. Researchers can track deuterium incorporation and movement through metabolic networks, enabling detailed insights into:

• Enzymatic mechanism elucidation

• Kinetic isotope effects (KIE)

• Biotransformation mapping

• Synthetic route development

3. Synthesis of Deuterated Building Blocks and Intermediates
1,3-Propane-d6-diol is often used as a starting material for generating a wide range of deuterated derivatives utilized in drug development, materials science, and isotopically labeled polymer research. Applications include:

• Deuterated monomer synthesis

• Labeled pharmaceutical intermediates

• Stable isotope-labeled standards for regulatory studies

• Customized labeled compounds for NMR and MS method development

4. Stable Isotope Research and Structural Elucidation
In structural chemistry and analytical R&D, the deuterium-labeled diol supports accurate isotopic pattern interpretation, signal separation, and confirmation of fragment pathways. It is highly beneficial for:

• HRMS fragmentation studies

• Understanding deuterium exchange kinetics

• Resolving overlapping spectral peaks

• Reference standard creation

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ADVANTAGES FOR MASS SPECTROMETRY
1,3-Propane-d6-diol offers several MS-specific benefits that enhance data quality:

• Distinct isotopic signature: Facilitates accurate mass-based differentiation in complex matrices.

• Stable isotope distribution: Avoids unwanted hydrogen exchange under normal conditions.

• Predictable fragmentation: Supports robust structural confirmations.

• Improved quantitation: Minimizes matrix effects and enhances analytical reproducibility.

These attributes make it an indispensable reference compound for regulated LC–MS workflows in pharmaceutical and biotechnology industries.

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WHY CHOOSE RESOLVEMASS LABORATORIES
ResolveMass Laboratories Inc. specializes in high-quality isotopically labeled standards designed for cutting-edge analytical and R&D applications. Our 1,3-Propane-d6-diol is produced under stringent quality controls, ensuring:

• High isotopic purity

• Batch-to-batch reproducibility

• Reliable performance in MS-based assays

• Technical support from experienced analytical scientists

We are committed to delivering premium-grade research chemicals that support advanced metabolomics, synthetic chemistry, and bioanalytical sciences.

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