Description

3-Hydroxy-2-Methyl-D3-Benzoic Acid is a deuterated derivative of 2-methyl-3-hydroxybenzoic acid, where three hydrogen atoms are replaced by deuterium, a stable hydrogen isotope. This deuteration is critical for enhancing metabolic stability and traceability in pharmacokinetic and metabolic studies. It is an essential building block and analytical standard for researchers and manufacturers in the pharmaceutical and agrochemical sectors, particularly for developing and testing novel active compounds.

Application

• Pharmaceutical Research & Development: As a stable isotope-labeled internal standard for the precise quantification of its non-deuterated counterpart in bioanalytical methods using LC-MS/MS.
• Metabolic Pathway Tracing: Used in drug metabolism and pharmacokinetics (DMPK) studies to track the absorption, distribution, metabolism, and excretion (ADME) of lead compounds.
• Active Pharmaceutical Ingredient (API) Synthesis: Serves as a deuterated synthon for the preparation of deuterium-labeled drug candidates, which can exhibit improved metabolic profiles.
• Agrochemical Development: Employed in the synthesis and analysis of novel, labeled pesticide or herbicide molecules for environmental fate and metabolism studies.
• Analytical Reference Standard: Provides a high-purity benchmark for method development, validation, and quality control in analytical laboratories.
• Biochemical Research: Utilized in mechanistic studies to investigate enzyme-catalyzed reactions and metabolic pathways without significant kinetic isotope effects.

Basic Information

Product Name	3-Hydroxy-2-Methyl-D3-Benzoic Acid
CAS No.	1020719-51-0
Molecular Formula	C8H5D3O3
Molecular Weight	155.17 g/mol
Synonyms	2-Methyl-3-hydroxybenzoic-2,4,6-D3 acid; 3-Hydroxy-2-methylbenzoic-2,4,6-D3 acid; 2,4,6-Trideutero-3-hydroxy-2-methylbenzoic acid; 3-Hydroxy-o-toluic-2,4,6-D3 acid; Deuteronated 3-Hydroxy-2-methylbenzoic Acid; Benzoic-2,4,6-D3 acid, 3-hydroxy-2-methyl-; (2,4,6-Trideuterio-3-hydroxy-2-methylphenyl)formic acid
EINECS	Contact for details

Quality Control

Our 3-Hydroxy-2-Methyl-D3-Benzoic Acid is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including NMR (¹H & ²H) for isotopic enrichment verification and HPLC for chemical and isotopic purity assessment. Certificates of Analysis (COA) detailing batch-specific results for identity, purity, and deuterium content are 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 the container tightly sealed in a dry environment to maintain stability.

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 (²H NMR)	≥ 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.