4-n-Nonylphenol-2,3,5,6-d4 | CAS 1173019-62-9

OVERVIEW
4-n-Nonylphenol-2,3,5,6-d₄ is a deuterium-labelled analogue of 4-n-nonylphenol, a branched-chain alkylphenol widely known for its industrial applications and environmental relevance. In this isotopically enriched compound, four aromatic hydrogen atoms on the phenolic ring are replaced by deuterium atoms, resulting in a +4 Da increase in molecular mass without altering its structural or chemical properties.

This stable isotope-labelled compound serves as an important analytical reference for quantifying nonylphenol residues in environmental and biological samples. Due to the compound’s hydrophobic and persistent nature, accurate isotope-labelled standards like 4-n-Nonylphenol-2,3,5,6-d₄ are crucial for monitoring contamination, studying degradation pathways, and validating analytical methodologies.

Produced with high isotopic enrichment and chemical purity, 4-n-Nonylphenol-2,3,5,6-d₄ from ResolveMass Laboratories Inc. meets the demanding standards of environmental laboratories, regulatory testing centers, and academic research institutions worldwide.

CHEMICAL INFORMATION

• Name: 4-n-Nonylphenol-2,3,5,6-d₄

• Molecular Formula: C₁₅H₂₀D₄O

• Molecular Weight: 225.39 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

• CAS Number: Specific to the labelled variant; parent compound CAS: 104-40-5

• Stability: Stable under normal laboratory conditions; sensitive to light and oxidizing agents

4-n-Nonylphenol-2,3,5,6-d₄ retains the core structure of nonylphenol—a para-substituted phenol with a linear nonyl side chain—while featuring four deuterium atoms on the aromatic ring. The deuterium substitution preserves the compound’s polarity and reactivity while imparting an isotopic mass shift ideal for analytical distinction by mass spectrometry.

APPLICATIONS
4-n-Nonylphenol-2,3,5,6-d₄ is primarily employed as a stable isotope-labelled internal standard and research reference in environmental, analytical, and toxicological studies. Its diverse applications include:

1. Environmental Analysis and Monitoring:
   4-n-Nonylphenol is a known endocrine-disrupting compound (EDC) and persistent environmental contaminant found in industrial effluents, wastewater, and sediments. The deuterated analogue (4-n-Nonylphenol-2,3,5,6-d₄) is used as an isotopic internal standard in GC-MS or LC-MS analysis to accurately quantify nonylphenol concentrations in complex environmental matrices such as soil, water, sludge, and biota.

2. Analytical Method Validation:
   The compound serves as a reference for validating analytical protocols, calibration curves, and recovery efficiencies in environmental testing laboratories. Its structural similarity ensures identical chromatographic behavior, while the isotopic mass shift allows distinct MS detection.

3. Metabolic and Biodegradation Studies:
   Researchers use 4-n-Nonylphenol-2,3,5,6-d₄ to trace degradation and transformation pathways of nonylphenol in environmental and biological systems. Isotope-labelled tracking helps differentiate between biotic and abiotic degradation products and assess persistence under variable environmental conditions.

4. Toxicological and Exposure Assessment:
   The compound is employed in studies that investigate the absorption, distribution, metabolism, and excretion (ADME) of nonylphenol and related alkylphenols in living organisms. Deuterated analogues provide reliable internal references for quantification in plasma, tissues, and excretory fluids.

5. Quality Control and Reference Material:
   Used in QA/QC programs to ensure analytical reproducibility, accuracy, and compliance with international environmental standards such as those established by EPA and ISO methods.

6. Isotope Effect Studies:
   The deuterium-substituted aromatic ring allows for examination of kinetic isotope effects, photolysis behavior, and reaction dynamics in organic and environmental chemistry.

ADVANTAGES

• High Isotopic Purity: Ensures reliable MS detection and isotope ratio quantification.

• Chemical and Chromatographic Equivalence: Exhibits identical behavior to non-deuterated 4-n-nonylphenol, ensuring precise analytical correlation.

• Stable Under Analytical Conditions: Suitable for use in GC-MS and LC-MS without isotopic scrambling or degradation.

• Enhanced Method Accuracy: Minimizes variability caused by matrix effects and recovery losses during sample preparation.

• Versatile Research Utility: Applicable across environmental chemistry, analytical toxicology, and kinetic isotope studies.

HANDLING
While 4-n-Nonylphenol-2,3,5,6-d₄ is primarily used as an analytical reference, it should be handled with caution due to the known toxicological and environmental hazards associated with nonylphenol derivatives.

• Work in a well-ventilated area or chemical fume hood.

• Avoid inhalation of vapors, ingestion, or prolonged skin contact.

• Wear suitable protective gloves, safety goggles, and laboratory coat.

• Prevent release into the environment or drainage systems.

QUALITY & DOCUMENTATION
4-n-Nonylphenol-2,3,5,6-d₄ supplied by ResolveMass Laboratories Inc. undergoes rigorous isotopic verification and purity analysis using NMR, MS, and IR techniques. Each batch is supported by full traceability and compliance documentation to ensure research integrity and reproducibility.

Each product is accompanied by:

• Certificate of Analysis (COA): Confirming isotopic enrichment, purity, and identity.

• Safety Data Sheet (SDS): Containing health, handling, and safety information.

• Batch Verification Record: Ensuring traceable production and analytical consistency.

ResolveMass Laboratories Inc. is committed to supplying precision-engineered stable isotope-labelled standards that enable reliable quantification, environmental monitoring, and analytical advancement across research and industrial domains.

SUMMARY
4-n-Nonylphenol-2,3,5,6-d₄ is a high-quality deuterated isotope standard designed for accurate analytical measurement and environmental research. Its structural fidelity, high isotopic enrichment, and chemical stability make it an essential tool for quantifying nonylphenol contamination, validating analytical methods, and studying environmental fate.

Through stringent quality control and isotopic verification, ResolveMass Laboratories Inc. provides dependable, research-grade standards like 4-n-Nonylphenol-2,3,5,6-d₄ to support scientific precision and environmental stewardship in laboratories worldwide.