Description

Caffeine-D3 (1-Methyl-D3) is a stable isotope-labeled analog of caffeine, where three hydrogen atoms on the methyl group are replaced by deuterium (D). This precise labeling makes it an indispensable internal standard for quantitative mass spectrometry analysis, ensuring unparalleled accuracy and reliability in research and testing. It is a critical tool for scientists and quality control professionals in pharmaceutical development, clinical research, forensic toxicology, and food/beverage analysis who require definitive measurements of caffeine and its metabolites.

Application

• Internal Standard for LC-MS/MS & GC-MS: Primary use as a quantitative reference standard in mass spectrometry for accurate caffeine quantification in complex matrices.
• Pharmaceutical Metabolism & Pharmacokinetic (PK/PD) Studies: Tracing the absorption, distribution, metabolism, and excretion of caffeine in drug development and clinical trials.
• Forensic & Clinical Toxicology: Precise measurement of caffeine levels in biological samples (blood, urine, plasma) for overdose cases or compliance monitoring.
• Food, Beverage, & Dietary Supplement Analysis: Ensuring accurate labeling and quality control of caffeine content in energy drinks, coffee, tea, and supplements.
• Sports Anti-Doping Research: Detection and quantification of caffeine and its metabolites to monitor compliance with athletic regulations.
• Environmental & Wastewater Analysis: Tracking caffeine as a chemical marker for human activity and environmental impact studies.
• Stable Isotope Labeling in Chemical Synthesis: Used as a labeled building block or tracer in synthetic chemistry research.

Basic Information

Product Name	Caffeine-D3 (1-Methyl-D3)
CAS No.	26351-03-1
Molecular Formula	C8H7D3N4O2
Molecular Weight	197.22 g/mol
Synonyms	1,3,7-Trimethyl-2,6-dioxopurine-1-methyl-d3; Caffeine (methyl-d3); Caffeine-1-methyl-d3; 1-Methyl-d3-caffeine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione-1-methyl-d3; Theine-d3; Guaranine-d3; Mateine-d3
EINECS	Contact for details

Quality Control

Every batch of our Caffeine-D3 (1-Methyl-D3) is manufactured and tested under strict quality management systems. We provide comprehensive analytical data to ensure it meets the high-purity standards required for sensitive analytical applications like mass spectrometry. A detailed Certificate of Analysis (COA) is supplied with each shipment, reporting key parameters including isotopic purity (D-enrichment), chemical purity (by HPLC), and identity confirmation. Our quality commitment supports compliance with GLP and ISO 17025 standards for reference materials.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. For long-term stability, consider storage at 2-8°C. The product is hygroscopic (moisture-sensitive); ensure the container is sealed after each use to prevent moisture absorption.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (MS)	Conforms to expected mass spectrum
Assay (HPLC)	≥ 98.0% (Chemical Purity)
Isotopic Purity (D-enrichment)	≥ 98 atom % D (by 1H-NMR or MS)
Water Content (KF)	≤ 0.5% w/w
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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