Description

4-tert-Butyl-D9-Phenol is a deuterium-labeled analog of 4-tert-butylphenol, a key chemical building block and analytical standard. This compound is specifically designed for use in mass spectrometry and other analytical techniques where isotopic labeling is required for accurate quantification and metabolic studies. It is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and material science industries who require high-purity, isotopically labeled internal standards and precursors.

Application

• Internal Standard for Mass Spectrometry (MS): Used as a quantitative reference standard in LC-MS and GC-MS analysis for pharmacokinetic and environmental testing.
• Metabolic Pathway Tracing: Employed in deuterium labeling studies to track the biotransformation and distribution of phenolic compounds in biological systems.
• Pharmaceutical Intermediate: Serves as a deuterated building block in the synthesis of novel active pharmaceutical ingredients (APIs) for drug discovery and development.
• Polymer & Material Science: Acts as a chain-terminating agent or monomer modifier in the development of specialized polymers, where the deuterium label aids in structural analysis.
• Agrochemical Research: Utilized in the synthesis and analysis of deuterated pesticides and herbicides to study their environmental fate and degradation.
• NMR Spectroscopy Solvent & Reagent: Applied in nuclear magnetic resonance (NMR) studies as a deuterated shift reagent or for solvent preparation.

Basic Information

Product Name	4-tert-Butyl-D9-Phenol
CAS No.	358730-87-7
Molecular Formula	C10D9HO
Molecular Weight	~155.24 g/mol
Synonyms	4-(tert-Butyl)phenol-d9; 4-tert-Butylphenol-d9; p-tert-Butylphenol-d9; 4-(1,1-Dimethylethyl)phenol-d9; PTBP-d9; Deuterated 4-tert-butylphenol; 4-tert-Butyl[2H9]phenol; 1-Hydroxy-4-tert-butylbenzene-d9
EINECS	Contact for details

Quality Control

Our 4-tert-Butyl-D9-Phenol is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including NMR, HPLC, and MS, to ensure high chemical purity and isotopic enrichment. Certificates of Analysis (COA) detailing batch-specific results for identity, purity, and deuterium content are provided to guarantee consistency and reliability for your critical research and production needs.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Deuterium Enrichment (NMR/MS)	≥ 98 atom % D
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.