p-Cresol-d7, OD | CAS 202325-52-8

p-Cresol-d7 OD | CAS 202325-52-8

Molecular Formula: C₇D₇OD
Molecular Weight: 115.18 g/mol
Synonyms: 4-Methylphenol-d₇, p-Methylphenol-d₇, p-Hydroxytoluene-d₇, p-Cresol-d₇ isotopic standard, Deuterated p-cresol, p-Cresol-D7 (OD form), 4-Methylphenol-D7, Perdeutero-p-cresol.

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Product Overview

p-Cresol-d₇, OD is a deuterium-labeled analog of p-cresol (4-methylphenol) in which all seven hydrogen atoms on the aromatic ring and methyl group are replaced by deuterium (²H or D), and the hydroxyl group exists in its OD (deuterated hydroxyl) form. This compound serves as a stable isotope-labeled standard widely used in metabolomics, mass spectrometry (MS), nuclear magnetic resonance (NMR), and pharmaceutical impurity profiling.

The complete deuteration (including the hydroxyl hydrogen) makes p-Cresol-d₇, OD an exceptional internal standard for the quantitative determination of phenolic compounds in biological fluids, environmental samples, and industrial formulations. The OD substitution minimizes hydrogen exchange during analysis, enhancing stability and isotopic integrity under experimental conditions.

ResolveMass Laboratories Inc. supplies high-purity p-Cresol-d₇, OD (≥98 atom % D) with chemical purity ≥99%, suitable for advanced analytical and research applications in environmental, toxicological, and pharmaceutical studies

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Applications and Uses p-Cresol-d7 OD | CAS 202325-52-8

1. Mass Spectrometry Internal Standard

p-Cresol-d₇, OD is extensively used as a quantitative internal standard in GC-MS and LC-MS/MS analyses of phenolic compounds, especially for p-cresol, a biomarker of microbial metabolism and industrial contaminants.
Deuterium substitution provides a characteristic mass shift (+7 amu), allowing unambiguous identification and accurate quantification even in complex biological or environmental matrices.

2. Metabolomics and Biomarker Studies

In clinical metabolomics, p-cresol is an important uremic toxin and metabolic product of tyrosine degradation by gut microbiota. The deuterated analog, p-Cresol-d₇, OD, serves as an ideal reference compound for absolute quantification in plasma, serum, or urine samples.
This enables researchers to assess metabolic dysregulation associated with kidney dysfunction, gut microbiome imbalance, and other pathophysiological conditions.

3. NMR Spectroscopy and Isotope Labeling

Due to its full deuteration, p-Cresol-d₇, OD is also used in NMR spectroscopy as a non-protonated standard or a model compound for studying hydrogen–deuterium exchange kinetics. The OD group helps evaluate proton exchange behavior, solvent effects, and hydrogen bonding patterns in aromatic systems.

4. Environmental and Industrial Monitoring

p-Cresol is a common industrial pollutant, found in coal tar, phenolic resins, and disinfectants. Its isotopically labeled form, p-Cresol-d₇, OD, enables tracer studies for monitoring phenolic contamination, degradation pathways, and environmental fate analysis. Researchers use it to determine biodegradation rates and partition coefficients in environmental modeling.

5. Quality Control and Method Validation

In pharmaceutical impurity profiling, deuterated cresols act as analytical standards for method validation under ICH Q2(R2) guidelines. p-Cresol-d₇, OD is used for system suitability testing, instrument calibration, and quantitative recovery validation in stability-indicating analytical methods.

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Analytical Advantages

• Excellent Isotopic Stability: The OD substitution minimizes isotopic scrambling, maintaining D-label integrity even under acidic or basic conditions.

• Distinct Mass Shift: Enables easy differentiation from unlabeled p-cresol during MS analysis.

• High Purity and Enrichment: Reduces interference and background noise, ensuring consistent and reproducible analytical data.

• Versatility: Suitable for use in various analytical platforms — GC-MS, LC-MS/MS, FTIR, and NMR.

• Trace Quantification: Provides superior accuracy in trace-level quantification of cresols and related phenolic impurities.

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Storage and Handling

p-Cresol-d₇, OD should be stored under inert atmosphere (nitrogen or argon) in a tightly sealed amber glass container to prevent moisture absorption and oxidation. Avoid prolonged exposure to light or air. Handle with appropriate personal protective equipment (PPE) including gloves, goggles, and lab coats. Use in a well-ventilated area or under a fume hood.

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Ordering Information

• Pack Sizes: 1 mL, 5 mL, and 10 mL (custom volumes available)

• Purity: ≥99% (GC)

• Isotopic Enrichment: ≥98 atom % D

• Lead Time: 2–4 weeks

• Catalog Number: RM-PCRE-D7

ResolveMass Laboratories Inc. offers custom synthesis and isotopic labeling services, including deuterium, ¹³C, and ¹⁵N-labeled standards tailored for specific analytical applications.

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Conclusion

p-Cresol-d₇, OD (CAS No.: 202325-52-8) is a high-performance deuterium-labeled phenolic compound ideal for use as a stable isotope internal standard, analytical reference material, and mechanistic tracer. Its complete deuteration, including the OD form, ensures excellent isotopic stability and analytical reliability.

At ResolveMass Laboratories Inc., we specialize in delivering isotopically labeled standards with uncompromising quality to support advanced analytical, pharmaceutical, and environmental research. Whether you are conducting quantitative LC-MS studies or mechanistic kinetic experiments, p-Cresol-d₇, OD ensures precision, reproducibility, and scientific confidence.