1,2-Propanediol-d6 | CAS 52910-80-2

OVERVIEW  of  1,2-Propanediol-d6 | CAS 52910-80-2

1,2-Propanediol-d₆ (CAS 52910-80-2) is a fully deuterated analog of 1,2-propanediol, commonly known as propylene glycol. In this isotopically labeled compound, all six hydrogen atoms are replaced by deuterium, providing a total molecular mass increase of +6 Da. The deuteration does not alter the compound’s structural or chemical behavior, making it ideal for use as an internal standard, tracer, and analytical reference in various mass spectrometry (MS) and NMR applications.

Due to its stability, non-volatility, and physicochemical similarity to natural propylene glycol, 1,2-Propanediol-d₆ is extensively applied in metabolomic studies, pharmaceutical analysis, and chemical reaction mechanism research, where deuterium-labeled compounds enhance precision and reproducibility in quantitative measurements.

CHEMICAL INFORMATION

• Name: 1,2-Propanediol-d₆

• Molecular Formula: C₃D₆O₂

• Molecular Weight: 82.13 g/mol

• CAS Number: 52910-80-2

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

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

• Stability: Chemically stable under normal conditions

APPLICATIONS  of  1,2-Propanediol-d6 | CAS 52910-80-2

• Mass Spectrometry (MS) Internal Standard:
  1,2-Propanediol-d₆ is frequently used as a quantitative internal standard in LC-MS or GC-MS analyses for propylene glycol and related compounds. Its distinct isotopic mass shift ensures accurate calibration and quantitation.

• NMR Spectroscopy:
  Deuteration minimizes proton interference, improving resolution and sensitivity in ¹H NMR and ²H NMR spectra, making it a valuable reference compound.

• Metabolic and Pharmacokinetic Studies:
  Utilized as a stable isotope tracer in biological systems to investigate metabolic pathways, glycol processing, and bioavailability in pharmacological contexts.

• Solvent Isotope Effect and Reaction Mechanism Research:
  Serves as a model compound in the study of solvent isotope effects, hydrogen-bonding interactions, and reaction kinetics, enabling deeper insight into proton-related mechanisms.

• Analytical Method Development:
  Supports method validation, calibration, and quality control in analytical laboratories where isotopic standards enhance data precision and reproducibility.

ADVANTAGES  of  1,2-Propanediol-d6 | CAS 52910-80-2

• Distinct +6 Da isotopic shift for clear mass differentiation in analytical assays.

• Retains identical chemical and chromatographic properties to the unlabeled parent compound.

• High chemical and isotopic purity ensures consistent analytical performance.

• Compatible with a wide range of solvents and analytical conditions.

• Safe, non-toxic, and non-radioactive for laboratory and industrial use.

HANDLING, STORAGE & SAFETY

• Handling: Avoid inhalation or contact with eyes and skin; use gloves and protective eyewear.

• Storage: Store in cool, dry conditions (2–8 °C); tightly sealed and protected from moisture.

• Safety: Low toxicity and low volatility; follow standard laboratory safety procedures.

• Disposal: Dispose of waste in compliance with local environmental and institutional regulations.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Physical State: Liquid

• Analytical Validation: Characterized by ¹H NMR, ²H NMR, and GC-MS

• Certificate of Analysis (CoA): Provided with each batch, confirming purity and isotopic enrichment

SUMMARY
1,2-Propanediol-d₆ (CAS 52910-80-2) is a highly deuterated, stable isotope-labeled standard that plays a crucial role in quantitative mass spectrometry, NMR spectroscopy, metabolic tracing, and reaction mechanism studies. Its chemical equivalence to native propylene glycol, coupled with precise isotopic enrichment, makes it indispensable in analytical, pharmaceutical, and biochemical research where reproducibility and isotopic accuracy are essential.

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