4-Methylimidazole-d6 | CAS 1219804-79-1

OVERVIEW  of  4-Methylimidazole-d6 | CAS 1219804-79-1

4-Methylimidazole-d₆ (CAS 1219804-79-1) is a fully deuterated isotopic analog of 4-methylimidazole, a nitrogen-containing heterocyclic compound commonly encountered in biochemical systems and industrial processes. In this labeled form, six hydrogen atoms of the parent compound are substituted with deuterium, resulting in a mass increase of +6 Da. This makes it particularly valuable as a stable isotope-labeled internal standard for mass spectrometry (MS) and nuclear magnetic resonance (NMR) applications.

4-Methylimidazole-d₆ retains identical structural and chemical characteristics to native 4-methylimidazole, allowing for precise comparative analysis in quantitative studies, isotope dilution assays, and mechanistic investigations. It is frequently used in food chemistry, toxicology, and pharmaceutical research for accurate detection, quantification, and tracing of 4-methylimidazole residues or metabolites.

CHEMICAL INFORMATION

• Name: 4-Methylimidazole-d₆

• Molecular Formula: C₄D₆N₂

• Molecular Weight: 88.14 g/mol

• CAS Number: 1219804-79-1

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated heterocyclic amine; stable isotope-labeled compound

• Stability: Chemically and isotopically stable under standard storage conditions

APPLICATIONS  of  4-Methylimidazole-d6 | CAS 1219804-79-1

• Analytical Chemistry & Mass Spectrometry (MS):
  Extensively used as a stable isotope-labeled internal standard in LC-MS/MS and GC-MS analysis for quantifying trace levels of 4-methylimidazole in various matrices, including food products, beverages, and biological fluids.

• Food Safety and Toxicological Studies:
  Enables accurate detection and quantification of 4-methylimidazole, a compound formed during caramelization and Maillard reactions, often monitored for its potential toxicological significance in processed foods and soft drinks.

• Pharmaceutical and Biochemical Research:
  Used in metabolic pathway analysis, enzyme kinetics, and drug interaction studies involving imidazole derivatives.

• Quality Control and Method Validation:
  Serves as a reference standard to improve analytical accuracy, reproducibility, and consistency in regulatory testing and laboratory validations.

• NMR and Isotope Effect Studies:
  Its full deuteration makes it ideal for NMR-based investigations to minimize proton background signals or explore isotope effects on reaction mechanisms.

ADVANTAGES  of  4-Methylimidazole-d6 | CAS 1219804-79-1

• Produces a clear +6 Da mass shift allowing easy MS differentiation from the native compound.

• Maintains identical physicochemical and chromatographic behavior to unlabeled 4-methylimidazole.

• Enhances accuracy, sensitivity, and reliability in isotope dilution and quantitative analysis.

• Fully deuterated, non-radioactive, and safe for laboratory use.

• Suitable for regulatory-grade analytical methods requiring isotope-labeled reference materials.

HANDLING, STORAGE & SAFETY

• Handling: Use in well-ventilated areas; avoid direct contact or inhalation. Handle with gloves and standard protective gear.

• Storage: Keep tightly sealed in a dry, cool (2–8 °C) location, away from moisture and direct sunlight.

• Safety: Low acute toxicity; may cause mild irritation upon contact. Follow standard laboratory safety practices.

• Disposal: Dispose of according to institutional and environmental regulations for organic laboratory chemicals.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Form: Crystalline powder or solid

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

• Documentation: Certificate of Analysis (CoA) provided for each batch verifying purity and isotopic enrichment

SUMMARY
4-Methylimidazole-d₆ (CAS 1219804-79-1) is a high-purity, fully deuterated heterocyclic compound used extensively as an internal standard and reference material in analytical and isotopic research. Its structural equivalence and isotopic precision make it indispensable in quantitative LC-MS/MS assays, food safety analysis, and metabolic pathway studies. With superior isotopic stability and analytical reliability, 4-Methylimidazole-d₆ supports accurate, reproducible, and regulatory-compliant quantification across diverse scientific disciplines.