Description

4-tert-Butyl-D9-Phenol-2,3,5,6-D4 is a high-purity, deuterium-labeled isotopologue of 4-tert-butylphenol, a compound of significant interest in analytical and research chemistry. This labeled standard is essential for ensuring accuracy and reliability in quantitative mass spectrometry and metabolic studies, where it serves as an internal reference to correct for variations in sample preparation and instrument response. It is primarily utilized by analytical laboratories, pharmaceutical R&D departments, and environmental testing facilities engaged in advanced trace analysis and stable isotope dilution methodologies.

Application

• Internal Standard for Mass Spectrometry (MS): Used as a quantitative reference in GC-MS and LC-MS analyses for the accurate determination of 4-tert-butylphenol and related compounds in complex matrices.
• Metabolic Pathway Tracing: Employed in pharmacokinetic and drug metabolism studies to track the distribution and biotransformation of phenolic compounds.
• Environmental Analysis: Critical for the detection and quantification of alkylphenols, which are environmental pollutants, in water, soil, and biological samples.
• Polymer and Material Science Research: Acts as a labeled precursor or additive in studies investigating polymerization mechanisms, additive migration, or material degradation.
• Pharmaceutical Impurity Profiling: Supports method development for identifying and quantifying process-related impurities and degradants in active pharmaceutical ingredients (APIs).
• Food Safety and Quality Control: Applied in methods to monitor phenolic antioxidants or contaminants that may migrate from packaging materials into foodstuffs.

Basic Information

Product Name	4-tert-Butyl-D9-Phenol-2,3,5,6-D4
CAS No.	225386-58-3
Molecular Formula	C10D13O
Molecular Weight	167.27 g/mol
Synonyms	4-(tert-Butyl-d9)phenol-2,3,5,6-d4; Deuterated 4-tert-Butylphenol; 4-tert-Butylphenol-d13; 4-(1,1-Dimethylethyl-d9)phenol-2,3,5,6-d4; p-tert-Butylphenol-d13; PTBP-d13; 4-TBP-d13; 2,3,5,6-Tetradeutero-4-(trideuterio-tert-butyl)phenol
EINECS	Contact for details

Quality Control

Every batch of 4-tert-Butyl-D9-Phenol-2,3,5,6-D4 is manufactured and analyzed under strict quality management protocols to ensure the highest isotopic and chemical purity required for analytical applications. Our products undergo rigorous quality testing to ensure compliance with industry standards. Certificates of Analysis (COA) are available upon request and provide detailed specifications including isotopic purity (atom % D), chemical purity by HPLC, and confirmation of structure.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Keep the container tightly sealed to prevent moisture absorption and potential contamination.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (Atom % D)	≥ 98.0% (by MS)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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