o-Cresol-d7, OD | CAS 202325-50-6

o-Cresol-d₇, OD | CAS No.: 202325-50-6

Molecular Formula: C₇D₇OD
Molecular Weight: 115.18 g/mol
Synonyms: 2-Methylphenol-d₇, o-Methylphenol-d₇, 2-Hydroxytoluene-d₇, Deuterated o-Cresol, o-Cresol-D7 (OD form), Perdeutero-o-cresol, o-Cresol-d₇ isotopic standard

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Product Overview

o-Cresol-d₇, OD (CAS No.: 202325-50-6) is the fully deuterated analog of o-cresol (2-methylphenol) in which all seven hydrogen atoms on the aromatic ring and methyl group are replaced by deuterium (²H), while the hydroxyl group exists in the OD (deuterated hydroxyl) form. This high-purity isotopically labeled compound serves as a stable isotope internal standard for mass spectrometry, NMR spectroscopy, and advanced analytical research.

The OD substitution ensures minimal hydrogen-deuterium exchange, improving long-term isotopic stability during analysis and storage. With ≥99% chemical purity and ≥98 atom % D isotopic enrichment, o-Cresol-d₇, OD is a robust analytical reference material used across pharmaceutical R&D, environmental science, metabolomics, and industrial chemistry.

At ResolveMass Laboratories Inc., we supply deuterated cresol isotopes with strict QC validation and traceability, ensuring superior reliability for analytical method validation, impurity profiling, and isotope-dilution mass spectrometry (IDMS).

 

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Applications and Research Uses

1. Stable Isotope-Labeled Internal Standard for MS Quantification

o-Cresol-d₇, OD is widely used as a quantitative internal standard in GC-MS and LC-MS/MS methods for accurate detection and quantification of o-cresol in biological, pharmaceutical, and industrial matrices.

• The deuterium label provides a +7 Da mass shift relative to native o-cresol, allowing precise mass distinction in isotope-dilution analyses.

• It corrects for matrix effects, sample loss, and instrumental variability, ensuring reproducible quantification at trace levels.

• Used for monitoring cresol impurities in drug formulations, detecting phenolic metabolites in urine, and assessing industrial effluent contamination.

2. Environmental and Industrial Monitoring

Cresols are common pollutants originating from petrochemical, dye, and resin manufacturing. The deuterated form, o-Cresol-d₇, OD, serves as a tracer molecule in:

• Environmental fate and transport studies of phenolic contaminants.

• Biodegradation and transformation pathway investigations.

• Calibration of analytical instruments for phenol detection in soil, water, and air.

Stable isotope-labeled o-cresol standards enable precise quantification of phenolic compounds even in complex environmental matrices, enhancing analytical accuracy and reproducibility.

3. Pharmaceutical and Metabolomic Research

In biological systems, cresols can arise from microbial metabolism of amino acids such as tyrosine. Using o-Cresol-d₇, OD as a labeled analog helps in:

• Identifying and quantifying o-cresol metabolites in clinical samples.

• Studying metabolic pathways linked to oxidative stress, gut microbiota, and uremic toxins.

• Supporting biomarker validation and metabolite profiling in pharmacokinetic studies.

Its high isotopic enrichment ensures reliable quantitation and structural elucidation of phenolic metabolites in metabolomic and bioanalytical workflows.

4. NMR Spectroscopy and Structural Studies

o-Cresol-d₇, OD is also valuable in NMR spectroscopy due to its deuterated structure:

• Reduces proton background noise, enhancing spectral resolution.

• Facilitates chemical shift calibration and solvent suppression in proton-decoupled experiments.

• Serves as a model compound for studying hydrogen bonding, isotopic substitution effects, and aromatic resonance in deuterated solvents.

5. Analytical Method Validation and System Suitability

As an isotope-labeled reference standard, o-Cresol-d₇, OD supports method validation under ICH and USP guidelines by:

• Providing stable, reproducible performance in analytical calibration curves.

• Ensuring traceability in quantitative method development for regulatory submissions.

• Serving as a benchmark for cross-laboratory data reproducibility.

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Analytical Advantages

• High isotopic purity (≥98 atom % D): Ensures accurate isotopic mass shift and reproducible quantification.

• OD form stability: Prevents H/D exchange in protic solvents, extending sample integrity.

• Excellent chromatographic behavior: Compatible with both GC and LC methods.

• Chemical and thermal stability: Maintains structure under analytical and storage conditions.

• Regulatory-grade quality: Produced under ISO 9001:2015 certified quality systems at ResolveMass Laboratories.

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Conclusion

o-Cresol-d₇, OD (CAS No.: 202325-50-6) is a high-purity, fully deuterated phenolic compound designed for precision analytical, isotopic, and structural applications. With its high isotopic enrichment, OD substitution stability, and compatibility across analytical platforms, it is a preferred choice for mass spectrometry calibration, environmental tracer studies, and NMR research.

At ResolveMass Laboratories Inc., we are committed to delivering scientifically validated isotope-labeled compounds that empower pharmaceutical, environmental, and academic researchers with accuracy, reproducibility, and reliability.