Description

Ethyl Isobutyrylacetate-D6 is a deuterium-labeled analog of ethyl isobutyrylacetate, a key β-ketoester intermediate. This high-purity, isotopically enriched compound is essential for applications requiring precise analytical tracking and metabolic studies. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors for use as an internal standard, tracer, or building block in the synthesis of deuterated active pharmaceutical ingredients (APIs).

Application

• Internal Standard for Mass Spectrometry (MS): Used in quantitative LC-MS/MS and GC-MS analysis to ensure accuracy and reproducibility in bioanalytical and pharmacokinetic studies.
• Deuterated API Synthesis: Serves as a crucial labeled precursor in the development and production of deuterium-labeled drug candidates for improved metabolic stability and clinical research.
• Metabolic Pathway Tracing: Enables detailed investigation of drug metabolism and degradation pathways in preclinical and environmental fate studies.
• NMR Spectroscopy Solvent & Reagent: Employed as a deuterated reagent or in deuterated solvent systems to prevent signal interference in complex NMR analyses.
• Agrochemical Research: Acts as a tracer in the study of pesticide and herbicide metabolism, environmental distribution, and residue analysis.
• Chemical Reference Standard: Provides a certified reference material for method development, validation, and quality control in analytical laboratories.

Basic Information

Product Name	Ethyl Isobutyrylacetate-D6
CAS No.	1216475-83-0
Molecular Formula	C8D6H8O3
Molecular Weight	~162.19 g/mol
Synonyms	Ethyl 4-methyl-3-oxopentanoate-d6; Ethyl 3-oxo-4-methylpentanoate-d6; Ethyl 2-methyl-3-oxobutylacetate-d6; Ethyl isobutyrylacetate-d6 (hexadeuterated); Deuterated Ethyl Isobutyrylacetate; [D6]-Ethyl Isobutyrylacetate; Ethyl (3-oxo-4-methylpentanoate)-d6; 4-Methyl-3-oxopentanoic acid ethyl ester-d6
EINECS	Contact for details

Quality Control

Every batch of Ethyl Isobutyrylacetate-D6 is produced and analyzed under strict quality management systems. We guarantee high chemical and isotopic purity, with comprehensive testing including NMR, HPLC, and GC-MS to confirm identity, assay, and deuterium enrichment levels. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting all critical specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use to prevent evaporation and potential contamination.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥ 98.0%
Isotopic Purity (Deuterium Enrichment)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residue on Evaporation	≤ 0.1%

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