Description

Ethyl Acetoacetate-4-13C is a stable isotope-labeled analog of ethyl acetoacetate, where the carbon atom at the 4-position is the 13C isotope. This compound is essential as a labeled building block for the synthesis of complex molecules in research and development, enabling precise metabolic and pharmacokinetic studies. It is primarily used by scientists and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry industries who require high-purity, isotopically enriched intermediates for tracer applications and advanced material synthesis.

Application

• Pharmaceutical Research & Development: As a 13C-labeled precursor for synthesizing isotopically labeled active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Analytical Chemistry & Mass Spectrometry: Used as an internal standard for the accurate quantification of ethyl acetoacetate and related metabolites in complex biological matrices via GC-MS or LC-MS.
• Agrochemical Development: Serves as a key labeled intermediate in the synthesis of novel, isotopically tagged pesticides and herbicides for environmental fate and residue analysis.
• Organic Synthesis & Material Science: A versatile 13C-enriched reagent for constructing complex organic molecules, heterocycles, and advanced materials where isotopic labeling is required for structural elucidation or property modification.
• NMR Spectroscopy: Employed as a probe molecule or a starting material for preparing other 13C-labeled compounds to aid in nuclear magnetic resonance (NMR) spectroscopic analysis and method development.

Basic Information

Product Name	Ethyl Acetoacetate-4-13C
CAS No.	100548-44-5
Molecular Formula	C6H1013CO3
Molecular Weight	132.14 g/mol (for 13C1 isotopologue)
Synonyms	Ethyl 3-oxobutanoate-4-13C; 1-Ethyl 3-oxobutanoate-4-13C; Acetoacetic acid ethyl ester-4-13C; EAA-4-13C; 3-Oxobutyric acid ethyl ester-4-13C; Ethyl acetylacetate-4-13C; Ethyl β-ketobutyrate-4-13C
EINECS	Contact for details

Quality Control

Our Ethyl Acetoacetate-4-13C is produced under controlled conditions to ensure exceptional isotopic and chemical purity, meeting the stringent requirements of research and industrial applications. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (atom % 13C), chemical purity, and identity confirmation. We adhere to rigorous quality standards to guarantee batch-to-batch consistency and reliability for your critical syntheses.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area at room temperature (15-25°C). Due to its highly volatile nature, keep away from heat, sparks, and open flame. Ensure the container is kept upright to prevent leakage.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms
Purity (GC)	≥ 98.0%
Isotopic Enrichment (atom % 13C)	≥ 99%
Water Content (KF)	≤ 0.5%

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