Description

2,4-Dimethylphenol-3,5,6-D3 is a deuterium-labeled isotopologue of 2,4-dimethylphenol, a key compound in the family of xylenols. This labeled derivative is essential for applications requiring precise analytical tracking and quantification, offering a stable isotopic marker that does not interfere with the chemical behavior of the parent molecule. It is primarily used by researchers and analytical laboratories in the pharmaceutical, agrochemical, and environmental science sectors for use as an internal standard in mass spectrometry, metabolic studies, and degradation pathway analysis.

Application

• Internal Standard for Quantitative Analysis: Serves as a critical deuterated internal standard in GC-MS and LC-MS methods for the accurate quantification of 2,4-dimethylphenol and related compounds in complex matrices.
• Pharmaceutical Research: Used in drug metabolism and pharmacokinetics (DMPK) studies to trace the fate of phenolic drug candidates or metabolites.
• Environmental Monitoring: Employed in analytical methods to study the environmental fate, biodegradation, and bioaccumulation of xylenols and other phenolic pollutants.
• Agrochemical Development: Facilitates residue analysis and metabolic pathway studies for phenolic pesticides and herbicides.
• Chemical Synthesis Research: Acts as a labeled starting material or intermediate in the synthesis of more complex deuterated compounds for mechanistic studies.
• Forensic and Toxicology Analysis: Provides a reliable reference standard for the detection and confirmation of phenolic substances in forensic samples.

Basic Information

Product Name	2,4-Dimethylphenol-3,5,6-D3
CAS No.	93951-75-8
Molecular Formula	C8H5D3O
Molecular Weight	125.18 g/mol
Synonyms	2,4-Dimethylphenol-d3; 2,4-Xylenol-3,5,6-d3; 1-Hydroxy-2,4-dimethylbenzene-3,5,6-d3; Deuterated 2,4-Dimethylphenol; 2,4-DMP-d3; [2H3]-2,4-Dimethylphenol; 3,5,6-Trideuterio-2,4-dimethylphenol
EINECS	Contact for details

Quality Control

Every batch of our 2,4-Dimethylphenol-3,5,6-D3 is produced and analyzed under strict quality protocols to ensure high isotopic purity and chemical integrity, meeting the exacting requirements of analytical and research applications. Our quality assurance includes comprehensive characterization by NMR (1H, 13C) and mass spectrometry to confirm isotopic enrichment and chemical purity. Certificates of Analysis (COA) detailing batch-specific data, including assay and isotopic purity, are provided and available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). Keep away from heat sources and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (MS)	≥ 98 atom % D
Chemical Purity (GC)	≥ 99.0%
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.