Description

p-Toluic-2,3,5,6-D4 Acid CAS NO 1219798-71-6 is a deuterated isotopologue of p-toluic acid, where four hydrogen atoms on the aromatic ring are replaced by deuterium. This high-purity labeled compound is essential for applications requiring precise internal standards and metabolic pathway tracing in advanced analytical chemistry. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and analytical reagent industries for mass spectrometry, NMR spectroscopy, and deuterium-labeling studies.

Application

• Internal Standard for Mass Spectrometry (MS): Serves as a critical quantitative reference standard in LC-MS and GC-MS analysis for accurate measurement of p-toluic acid and related metabolites.
• NMR Spectroscopy Solvent & Reagent: Used as a deuterated shift reagent or in solvent systems for complex structural elucidation and reaction monitoring.
• Pharmaceutical Research & Development: Enables drug metabolism and pharmacokinetics (DMPK) studies, tracing the fate of drug molecules in biological systems.
• Chemical Synthesis Intermediate: Acts as a building block for synthesizing more complex deuterated compounds where the labeled aromatic ring is required.
• Agrochemical Research: Facilitates the study of environmental degradation pathways and metabolite identification of herbicides and pesticides.
• Analytical Reference Material: Provides a certified, high-purity material for calibrating instruments and validating analytical methods in quality control laboratories.

Basic Information

Item	Detail
Product Name	p-Toluic-2,3,5,6-D4 Acid
CAS No.	1219798-71-6
Molecular Formula	C8D4H4O2
Molecular Weight	140.17 g/mol
Synonyms	4-Methylbenzoic-2,3,5,6-d4 Acid; p-Methylbenzoic-d4 Acid; 4-Methyl-d4-benzoic Acid; Deuteronated p-Toluic Acid; 2,3,5,6-Tetradeutero-4-methylbenzoic Acid; Toluic Acid-d4 (aromatic); 4-(Methyl-d3)benzoic-2,3,5,6-d4 Acid (fully labeled variant); p-Toluic Acid-d4
EINECS	Contact for details

Quality Control

Our p-Toluic-2,3,5,6-D4 Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR and mass spectrometry, to confirm isotopic purity (≥98 atom % D) and chemical purity (≥97%). Certificates of Analysis (COA) detailing batch-specific results are provided to ensure traceability and compliance with your research or production standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). The product is moisture-sensitive; keep the container tightly sealed when not in use to prevent absorption of atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Chemical Purity (by difference)	≥ 99.0%
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.