Benzoic-2,3,4,5,6-d5 Acid | CAS 1079-02-3

OVERVIEW  of  Benzoic-2,3,4,5,6-d5 Acid | CAS 1079-02-3

Benzoic-2,3,4,5,6-d₅ Acid is a fully ring-deuterated analogue of benzoic acid, incorporating five deuterium atoms across the aromatic ring. This compound is an essential isotopically labeled standard used extensively in analytical chemistry, metabolic studies, environmental assessments, and method development. Its deuterated structure provides a significant and predictable mass shift while maintaining identical chemical behavior to native benzoic acid, ensuring high accuracy in quantitative analyses and mechanistic investigations.

This labeled acid offers exceptional stability, reproducibility, and compatibility with mass spectrometric, chromatographic, and spectroscopic techniques. Its consistent performance makes it valuable for laboratories involved in trace-level detection, validation studies, and the characterization of aromatic acids in biological, industrial, and environmental matrices. Benzoic-d₅ Acid provides outstanding performance in high-resolution mass spectrometry, allowing clean differentiation from endogenous or contaminant benzoic acid.

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CHEMICAL INFORMATION

• Chemical Name / Synonyms:Benzoic-2,3,4,5,6-d₅ Acid

• CAS Number: 1079-02-3

• Molecular Formula: C₇HD₅O₂

• Molecular Weight: 127.15 g/mol

• Isotopic Enrichment: Typically ≥98% D

• Functional Groups: Aromatic ring, carboxylic acid

• Stability: Highly stable under normal storage and laboratory handling conditions

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APPLICATIONS  of  Benzoic-2,3,4,5,6-d5 Acid | CAS 1079-02-3
Benzoic-d₅ Acid is widely used across diverse scientific and industrial fields due to its excellent analytical properties and isotopic clarity:

• Isotope-Dilution Mass Spectrometry (IDMS):
  Ideal for accurate quantification of benzoic acid in food safety testing, pharmaceutical analysis, and chemical process monitoring.

• Environmental Analysis:
  Utilized for tracking benzoic acid residues in soil, water, effluents, and atmospheric samples, offering improved accuracy in complex matrices.

• Metabolic & Biochemical Studies:
  Serves as a stable isotope tracer for studying metabolic pathways, conjugation reactions, microbial degradation, and xenobiotic transformation.

• Chromatographic Method Development:
  Provides a robust internal standard for LC-MS, GC-MS (after derivatization), and HPLC validations, supporting precision and reproducibility.

• Polymer & Material Chemistry:
  Helps in evaluating degradation pathways, monomer tracking, and performance studies involving aromatic acid components in polymers and coatings.

• Mechanistic & Kinetic Research:
  Deuterium labeling enables detailed investigations into reaction mechanisms, isotope effects, and aromatic substitution pathways.

• Quality Control & Calibration:
  Frequently used as a reference standard in pharmaceutical QC labs to assess method accuracy, matrix effects, and instrument performance.

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ADVANTAGES  of  Benzoic-2,3,4,5,6-d5 Acid | CAS 1079-02-3

• High Isotopic Purity:
  Ensures clean mass spectral separation from unlabeled benzoic acid, improving quantitative accuracy.

• Chemically Identical Behavior:
  The compound behaves analogously to the non-deuterated form, maintaining reactivity and chromatographic properties.

• Excellent Stability:
  Resistant to oxidation, degradation, and isotopic exchange under normal handling conditions.

• Versatile Analytical Compatibility:
  Suitable for LC-MS, GC-MS (after esterification), FT-IR, NMR, and other spectroscopic methods.

• Enhanced Precision in Complex Samples:
  Minimizes matrix-related interference in environmental, biological, and industrial analyses.

• Robust Standard for Method Validation:
  Supports calibration, linearity checks, recovery studies, and inter-laboratory reproducibility programs.

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SUMMARY
Benzoic-2,3,4,5,6-d₅ Acid is a high-value deuterated aromatic acid that offers exceptional performance in quantitative analysis, environmental assessment, and mechanistic research. Its five deuterium atoms create a distinct isotopic signature without altering the chemical identity of the parent benzoic acid, enabling precise tracking and measurement across diverse applications. Known for its stability, purity, and analytical consistency, this compound is indispensable for laboratories that require reliable heavy-isotope standards for LC-MS, GC-MS, and spectral analysis. Benzoic-d₅ Acid provides the accuracy, reproducibility, and clarity needed for high-quality research and industrial testing.

 

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