Description

(E)-3,4,4-Trimethyl-5-Oxo-2-Hexenoic Acid Ethyl Ester is a high-purity, specialized organic ester with a defined stereochemistry, serving as a critical building block in advanced chemical synthesis. Its value lies in its unique molecular structure, which provides a reactive α,β-unsaturated carbonyl system and a sterically hindered center, making it an indispensable intermediate for constructing complex molecules. This compound is essential for R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries seeking to develop novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the synthesis of complex drug candidates, particularly in steroid-like molecules and other bioactive compounds.
• Agrochemical Synthesis: Used in the production of advanced pesticides and herbicides, leveraging its reactive site for constructing heterocyclic systems.
• Fine Chemical Manufacturing: Serves as a precursor for fragrances, flavors, and specialty polymers where its specific carbon skeleton is required.
• Academic & Industrial Research: A valuable reagent in methodological chemistry research, including studies on Michael addition reactions and asymmetric synthesis.
• Material Science: Potential use as a monomer or cross-linking agent in the development of specialty resins and coatings with tailored properties.

Basic Information

Product Name	(E)-3,4,4-Trimethyl-5-Oxo-2-Hexenoic Acid Ethyl Ester
CAS No.	6994-98-5
Molecular Formula	C11H18O3
Molecular Weight	198.26 g/mol
Synonyms	Ethyl (E)-3,4,4-Trimethyl-5-oxo-2-hexenoate; 3,4,4-Trimethyl-5-oxo-2-hexenoic Acid Ethyl Ester; Ethyl 3,4,4-Trimethyl-5-oxo-2-hexenoate; (E)-Ethyl 3,4,4-trimethyl-5-oxohex-2-enoate; 2-Hexenoic acid, 3,4,4-trimethyl-5-oxo-, ethyl ester, (E)-; 6994-98-5; NSC 163045
EINECS	Contact for details

Quality Control

Our production of (E)-3,4,4-Trimethyl-5-Oxo-2-Hexenoic Acid Ethyl Ester adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including chromatographic purity analysis and structural confirmation, to ensure consistency and meet the exacting standards required for synthetic applications. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong bases and incompatible materials such as strong oxidizing agents. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
(E)-Isomer Purity (GC/HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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