4-Methyl-d3-imidazole | CAS 1219805-95-4

OVERVIEW  of  4-Methyl-d3-imidazole | CAS 1219805-95-4

4-Methyl-d₃-imidazole (CAS 1219805-95-4) is a stable isotope-labeled derivative of 4-methylimidazole, a heterocyclic aromatic compound featuring both nitrogen atoms within a five-membered ring. In this deuterated analog, three hydrogen atoms in the methyl group are replaced with deuterium, creating a mass increase of +3 Da. This isotopic substitution makes 4-methyl-d₃-imidazole ideal for use as an internal standard in analytical chemistry and mass spectrometric quantification of 4-methylimidazole in complex matrices.

Due to its similar physicochemical properties to the non-deuterated form, 4-methyl-d₃-imidazole is a reliable reference material for method validation, calibration, and isotope dilution studies in pharmaceutical, food, and toxicological research.

CHEMICAL INFORMATION

• Name: 4-Methyl-d₃-imidazole

• Molecular Formula: C₄H₁D₃N₂

• Molecular Weight: 85.12 g/mol

• CAS Number: 1219805-95-4

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated heterocyclic amine

• Stability: Stable under normal laboratory storage and handling conditions

APPLICATIONS  of  4-Methyl-d3-imidazole | CAS 1219805-95-4

• Analytical Chemistry and Mass Spectrometry (MS):
  Used as a stable isotope-labeled internal standard in GC-MS and LC-MS/MS analysis for the quantification of 4-methylimidazole in foods, beverages, and biological samples.

• Food Safety and Toxicology:
  Enables accurate measurement of 4-methylimidazole residues—a compound formed during caramel coloring or Maillard reactions—in consumer products for regulatory and toxicological studies.

• Pharmaceutical and Metabolic Research:
  Assists in metabolic pathway elucidation and pharmacokinetic analysis involving imidazole-based molecules and their derivatives.

• Quality Control and Method Validation:
  Ensures trace-level quantification and reproducibility in analytical assays by acting as a precise isotopic reference material.

• Environmental and Industrial Monitoring:
  Useful for tracking 4-methylimidazole formation or degradation during chemical processing or combustion studies.

ADVANTAGES  of  4-Methyl-d3-imidazole | CAS 1219805-95-4

• Produces a distinct +3 Da mass shift allowing clear differentiation from native 4-methylimidazole.

• Chemically and physically identical to the unlabeled analog, ensuring accurate co-elution and ionization behavior.

• Enhances data accuracy, reproducibility, and sensitivity in isotope dilution analysis.

• Non-radioactive and safe for laboratory use.

• Essential for regulatory compliance testing and trace-level detection studies.

HANDLING, STORAGE & SAFETY

• Handling: Handle under standard laboratory conditions using gloves and protective eyewear; avoid inhalation or contact with skin and eyes.

• Storage: Keep sealed in a cool, dry environment (2–8 °C) away from light and moisture.

• Safety: Low toxicity but may cause irritation upon prolonged exposure; follow laboratory chemical safety protocols.

• Disposal: Dispose of according to institutional guidelines for organic chemical waste.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Form: Crystalline solid or powder

• Characterization: Verified by ¹H NMR, ²H NMR, and LC-MS

• Documentation: Certificate of Analysis (CoA) available with isotopic and purity confirmation

SUMMARY
4-Methyl-d₃-imidazole (CAS 1219805-95-4) is a high-quality deuterium-labeled analog of 4-methylimidazole, designed for precise quantitative mass spectrometry and isotope dilution applications. Its stability, isotopic enrichment, and close chemical equivalence to the native compound make it invaluable in toxicology, food safety, pharmaceutical, and environmental research. By serving as a dependable internal standard, it ensures accurate, reproducible, and traceable analytical results across a range of scientific and industrial applications.