Description

n-Acetyl-S-(3,4-Dimethylbenzene)-L-Cysteine-D3 is a deuterium-labeled internal standard of a key mercapturic acid metabolite. This compound is essential for achieving high-precision quantitative analysis in mass spectrometry-based assays. It is primarily required by analytical laboratories and research institutions conducting advanced toxicology and biomonitoring studies. The use of this stable isotope-labeled standard ensures accurate measurement of human exposure to specific industrial chemicals.

Application

• Internal Standard for LC-MS/MS: Critical for the precise quantification of S-(3,4-dimethylbenzyl)-L-cysteine mercapturate in biological matrices like urine and plasma.
• Biomonitoring Studies: Enables accurate assessment of human exposure to xylenes and related aromatic solvents in occupational and environmental health research.
• Toxicology and Metabolism Research: Used to study the metabolic pathways and excretion kinetics of volatile organic compounds (VOCs).
• Clinical Research: Supports studies investigating the biological impact of solvent exposure and validating biomarkers of effect.
• Pharmaceutical Development: Can be utilized in drug metabolism and pharmacokinetics (DMPK) studies for compounds metabolized via conjugation pathways.
• Reference Standard Manufacturing: Serves as a certified reference material (CRM) for calibrating analytical instruments and validating test methods.

Basic Information

Product Name	n-Acetyl-S-(3,4-Dimethylbenzene)-L-Cysteine-D3
CAS No.	1331892-61-5
Molecular Formula	C₁₄H₁₅D₃N₂O₄S
Molecular Weight	313.39 g/mol
Synonyms	N-Acetyl-S-(3,4-dimethylbenzyl)-L-cysteine-d3; N-Acetyl-S-(3,4-dimethylbenzyl)-L-cysteine (methyl-d3); N-Ac-S-(3,4-DMB)-Cys-d3; 2-[(3,4-Dimethylphenyl)methyl-d3]-N-acetyl-L-cysteine; Deuterated N-Acetyl-S-(3,4-dimethylbenzyl)cysteine; N-Acetyl-3-[(3,4-dimethylphenyl)methyl-d3]-L-cysteine; Mercapturic Acid Metabolite of Xylene-d3; Internal Standard for Xylene Metabolite
EINECS	Contact for details

Quality Control

Every batch of n-Acetyl-S-(3,4-Dimethylbenzene)-L-Cysteine-D3 is produced and analyzed under strict quality management protocols to ensure identity, purity, and isotopic enrichment. Our quality commitment includes comprehensive characterization by NMR, HPLC, and mass spectrometry. Certificates of Analysis (COA) are provided with each shipment, detailing batch-specific results for chemical purity, isotopic purity (D-enrichment), and chromatographic profile.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below in a freezer. This product is hygroscopic (moisture-sensitive). Allow the vial to equilibrate to room temperature in a desiccator before opening to prevent condensation and moisture uptake.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (NMR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-enrichment)	≥ 98 atom % D
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Complies with ICH guidelines

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.