4-n-Butylphenol-2,3,5,6-d4,OD | CAS 1219795-04-6

OVERVIEW
4-n-Butylphenol-2,3,5,6-d₄, OD is a deuterium-labelled analogue of 4-n-butylphenol, an alkylphenol compound of significant industrial, analytical, and environmental interest. In this isotopically modified version, the aromatic hydrogens at the 2-, 3-, 5-, and 6-positions are replaced by deuterium atoms, while the phenolic hydroxyl group is also deuterated (OD). This substitution introduces a +5 Da mass increase compared to the non-deuterated compound while preserving its core physicochemical and structural characteristics.

The deuterated compound exhibits identical chromatographic and chemical behavior to its non-deuterated form, making it an ideal internal standard and reference material for high-precision analytical applications. 4-n-Butylphenol-2,3,5,6-d₄, OD is widely utilized in mass spectrometry (MS), nuclear magnetic resonance (NMR), isotope effect studies, and environmental testing.

Manufactured to the highest isotopic and chemical purity standards, this compound from ResolveMass Laboratories Inc. ensures reliable quantitative and qualitative performance for laboratories engaged in environmental monitoring, toxicology, and advanced analytical chemistry.

CHEMICAL INFORMATION

•  Name : 4-n-Butylphenol-2,3,5,6-d₄, OD

• Molecular Formula: C₁₀H₈D₅O

• Molecular Weight: 154.25 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

• CAS Number: 1219795-04-6

• Stability: Chemically stable under standard laboratory conditions; sensitive to strong oxidizing agents and prolonged UV exposure

Structurally, 4-n-Butylphenol-2,3,5,6-d₄, OD retains the para-substituted phenol skeleton with a straight-chain butyl group attached to the aromatic ring. The incorporation of deuterium into both the aromatic ring and hydroxyl group provides a distinct isotopic mass difference (M+5) while maintaining near-identical chemical reactivity and chromatographic behavior, essential for comparative analytical and isotopic investigations.

APPLICATIONS  of  4-n-Butylphenol-2,3,5,6-d4,OD | CAS 1219795-04-6
4-n-Butylphenol-2,3,5,6-d₄, OD finds broad utility across analytical, environmental, and chemical research disciplines due to its isotopic labeling, chemical stability, and analytical precision. Major applications include:

1. Internal Standard for Mass Spectrometry (MS):
   The compound serves as an isotopically labelled internal standard in GC-MS and LC-MS analyses for quantifying 4-n-butylphenol and related alkylphenols in environmental, industrial, and biological samples. Its isotopic mass shift enables clear MS differentiation without interference from co-eluting species.

2. Environmental Monitoring:
   4-n-Butylphenol and its derivatives are known endocrine-disrupting chemicals (EDCs) and environmental contaminants arising from detergents, plasticizers, and industrial byproducts. The deuterated analogue assists in tracing these compounds’ presence, degradation, and transformation in environmental matrices like wastewater, sediments, and biota.

3. Analytical Calibration and Validation:
   Used as a calibration and validation reference, 4-n-Butylphenol-2,3,5,6-d₄, OD ensures accuracy and consistency in quantitative analyses by compensating for matrix effects, extraction losses, and instrument variability.

4. NMR and Spectroscopic Studies:
   The compound’s high isotopic purity makes it suitable for NMR solvent suppression studies and isotope effect evaluations, particularly involving hydrogen–deuterium exchange or molecular interaction mechanisms.

5. Toxicological and Exposure Studies:
   In toxicokinetic research, this compound serves as a tracer for understanding the metabolism, bioaccumulation, and environmental fate of butylphenols in living systems.

6. Isotope Effect and Mechanistic Investigations:
   The deuterated aromatic and hydroxyl positions are valuable for kinetic isotope effect studies that help elucidate reaction mechanisms, oxidation pathways, and substitution kinetics in organic and environmental chemistry.

7. Reference Material for Quality Control:
   Employed as a high-quality analytical standard to maintain reproducibility and ensure compliance with environmental and industrial regulatory standards.

ADVANTAGES

• High Isotopic Integrity: ≥ 98% deuterium enrichment ensures accurate isotope ratio measurements.

• Chemical Equivalence: Identical chromatographic and physicochemical properties to the non-deuterated compound.

• Distinct Isotopic Mass Shift (M+5): Enables easy differentiation during MS analysis.

• Thermally and Chemically Stable: Suitable for GC, LC, and NMR applications.

• Enhanced Analytical Accuracy: Minimizes matrix-induced errors and enhances quantification reliability.

• Ideal for Environmental and Toxicological Studies: Reliable for tracing alkylphenol pathways and degradation mechanisms.

HANDLING
4-n-Butylphenol-2,3,5,6-d₄, OD should be handled using standard laboratory precautions. Although its toxicity is relatively low, prolonged exposure or contact should be avoided.

• Use in a well-ventilated workspace or fume hood.

• Avoid inhalation, ingestion, and contact with skin or eyes.

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

• Prevent accidental environmental release.

QUALITY & DOCUMENTATION
ResolveMass Laboratories Inc. manufactures 4-n-Butylphenol-2,3,5,6-d₄, OD under stringent quality control protocols, ensuring consistent isotopic composition, purity, and analytical accuracy. Each batch undergoes comprehensive testing using MS, NMR, and IR spectroscopy to verify deuterium incorporation and chemical identity.

Each product is supplied with:

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

• Safety Data Sheet (SDS): Detailing hazard and handling information.

• Batch Traceability Record: Guaranteeing reproducibility and data integrity.

ResolveMass Laboratories Inc. continues to serve the analytical and scientific community with precision isotope-labelled standards that uphold global standards for research quality, reproducibility, and traceability.

SUMMARY
4-n-Butylphenol-2,3,5,6-d₄, OD is a high-purity, deuterated phenolic compound engineered for advanced analytical and environmental research applications. Its isotopic fidelity, chemical stability, and compatibility with mass spectrometry and spectroscopic techniques make it an indispensable standard for laboratories focused on quantitative environmental analysis, toxicology, and isotopic investigations.

Through rigorous production and verification processes, ResolveMass Laboratories Inc. delivers 4-n-Butylphenol-2,3,5,6-d₄, OD as a dependable tool for accurate measurement, method validation, and scientific innovation in isotope chemistry.