Description

3,5-Dimethylbenzoic Acid (3-Methyl-13C) is a stable isotope-labeled derivative of 3,5-dimethylbenzoic acid, where a carbon-13 atom is specifically incorporated at the 3-methyl position. This compound is essential as a high-purity internal standard and tracer in quantitative analytical methods, providing unmatched accuracy for research and quality control. It is primarily needed by analytical laboratories, pharmaceutical R&D teams, and agrochemical manufacturers engaged in advanced mass spectrometry (MS), nuclear magnetic resonance (NMR) spectroscopy, and metabolic studies.

Application

• Quantitative Mass Spectrometry (MS): Serves as a critical internal standard for the precise quantification of 3,5-dimethylbenzoic acid and related metabolites in complex biological and environmental matrices.
• Nuclear Magnetic Resonance (NMR) Spectroscopy: Used as a 13C-labeled tracer to elucidate reaction mechanisms, study molecular dynamics, and track metabolic pathways in chemical and biochemical research.
• Pharmaceutical Development: Employed in drug metabolism and pharmacokinetics (DMPK) studies to track the fate of drug candidates and ensure accurate bioanalytical data.
• Agrochemical Research: Utilized in environmental fate studies and residue analysis of pesticides or herbicides that degrade to or are based on benzoic acid structures.
• Chemical Synthesis Research: Acts as a labeled building block for synthesizing more complex 13C-labeled compounds for use in various research applications.
• Quality Control & Reference Standards: Provides a certified reference material (CRM) for calibrating instruments and validating analytical methods in compliance with GLP and ISO 17025 standards.

Basic Information

Product Name	3,5-Dimethylbenzoic Acid (3-Methyl-13C)
CAS No.	202114-50-9
Molecular Formula	C9H10O2 (13C1)
Molecular Weight	166.19 g/mol (for 13C1 labeled form)
Synonyms	3,5-Dimethylbenzoic-3-13C acid; Benzoic acid, 3,5-dimethyl- (3-13C-methyl); 3-(13C)Methyl-5-methylbenzoic acid; 3,5-DMBA-3-13C; 13C-Labeled 3,5-Dimethylbenzoic Acid; Isotope-labeled 3,5-DMBA; 3,5-Xylylic acid (3-13C-methyl)
EINECS	Contact for details

Quality Control

Our 3,5-Dimethylbenzoic Acid (3-Methyl-13C) is manufactured under strict quality systems to ensure exceptional isotopic and chemical purity for critical research applications. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (typically ≥99 atom % 13C), chemical purity (by HPLC/NMR), and identity confirmation. We adhere to relevant standards for high-purity reference materials to support GLP-compliant research.

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 maintain isotopic integrity and prevent contamination.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure and labeling position
Purity (HPLC)	≥98.0%
Isotopic Enrichment	≥99 atom % 13C
Chemical Purity (NMR)	≥98.0%
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.