Description

3,5-Dimethylbenzoic-D9 Acid is a deuterated derivative of 3,5-dimethylbenzoic acid, where nine hydrogen atoms are replaced with the stable isotope deuterium. This isotopic labeling makes it an essential internal standard and tracer in quantitative mass spectrometry, ensuring unparalleled accuracy and reliability in analytical measurements. It is a critical tool for researchers and quality control laboratories in the pharmaceutical, agrochemical, and environmental science sectors who require precise quantification of metabolites, impurities, or active compounds.

Application

• Internal Standard for LC-MS/MS: Primary application as a high-purity, isotopically labeled internal standard for the accurate quantification of 3,5-dimethylbenzoic acid and related compounds in complex biological matrices.
• Pharmaceutical Research: Used in drug metabolism and pharmacokinetics (DMPK) studies to track the absorption, distribution, metabolism, and excretion (ADME) of pharmaceutical agents.
• Environmental Analysis: Serves as a tracer in the analysis of environmental samples for pollutants and degradation products derived from dimethylbenzoate structures.
• Agrochemical Development: Employed in the study of pesticide and herbicide metabolism in plants and soil to understand environmental fate and residue levels.
• Metabolomics and Biomarker Discovery: Facilitates precise measurement of endogenous metabolites in biomarker identification and validation studies.
• Chemical Synthesis Research: Used as a labeled starting material or intermediate in the synthesis of deuterated complex molecules for mechanistic studies.

Basic Information

Product Name	3,5-Dimethylbenzoic-D9 Acid
CAS No.	1335014-65-7
Molecular Formula	C9D9O2
Molecular Weight	167.25 g/mol
Synonyms	3,5-Dimethylbenzoic-d9 Acid; Benzoic-d9 acid, 3,5-dimethyl-; Deuterated 3,5-Dimethylbenzoic Acid; 3,5-Dimethyl-D9-benzoic Acid; (3,5-Dimethylphenyl-d9)carboxylic Acid; 3,5-Xylyl-d9 carboxylic Acid; Isotopic Standard 1335014-65-7
EINECS	Contact for details

Quality Control

Every batch of 3,5-Dimethylbenzoic-D9 Acid is produced 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) detailing isotopic enrichment (D%), chemical purity (by HPLC), and identity confirmation (by NMR and MS) are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 15-25°C. This compound is hygroscopic (moisture-sensitive); ensure the container is sealed under inert atmosphere or with desiccant to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D%)	≥ 98.0 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.