Description

Methyl-D3 3-Oxobutanoate is a deuterium-labeled analog of methyl acetoacetate, a key building block in organic synthesis. This stable isotope-labeled compound is essential for applications requiring precise tracking and quantification, such as in the development of analytical standards and metabolic studies. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors for drug discovery, metabolic pathway analysis, and the synthesis of labeled complex molecules.

Application

• Internal Standard for Mass Spectrometry (MS): Serves as a critical quantitative reference standard in GC-MS and LC-MS analyses for accurate metabolite profiling.
• Pharmaceutical Research & Drug Metabolism: Used in pharmacokinetic (PK) and absorption, distribution, metabolism, and excretion (ADME) studies to trace the fate of drug candidates.
• Synthesis of Deuterium-Labeled Compounds: Acts as a versatile precursor for introducing a deuterated acetoacetate moiety into more complex target molecules.
• Analytical Reference Standard: Provides a certified material for method development, validation, and quality control in analytical laboratories.
• Biochemical Tracing: Employed in metabolic flux analysis to investigate biochemical pathways and enzyme mechanisms.
• Agrochemical Research: Used in the development and environmental fate studies of labeled pesticides or herbicides.

Basic Information

Product Name	Methyl-D3 3-Oxobutanoate
CAS No.	107694-22-4
Molecular Formula	C5H5D3O3
Molecular Weight	119.13 g/mol
Synonyms	Methyl 3-oxobutanoate-d3; Deuterated Methyl Acetoacetate; Methyl Acetoacetate-d3; 3-Oxobutyric Acid Methyl Ester-d3; Acetoacetic Acid Methyl Ester-d3; Methyl 3-Oxobutyrate-d3; (2,2,2-Trideuterio)methyl 3-oxobutanoate
EINECS	Contact for details

Quality Control

Our Methyl-D3 3-Oxobutanoate is produced under strict quality management protocols to ensure high chemical and isotopic purity, critical for research integrity. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing parameters such as assay (by NMR or HPLC), isotopic enrichment (D-content), and impurity profile. We adhere to relevant industry standards for stable isotope-labeled compounds to guarantee batch-to-batch consistency and reliability for your sensitive applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from heat sources and open flame. Due to its light-sensitive nature, containers should be kept in amber glass or opaque packaging during storage.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR / NMR)	Conforms to structure
Assay (by GC or HPLC)	≥ 98.0%
Isotopic Purity (D-content)	≥ 98 atom % D
Chemical Purity	≥ 99.0%
Water Content (KF)	≤ 0.5%

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