Description

3-Cyano-3-Ethyl-5-Methylhexanoic Acid Ethyl Ester is a versatile cyanoester building block with significant synthetic utility in organic chemistry. Its molecular structure, featuring both a cyano and an ester functional group, makes it a valuable intermediate for constructing complex molecules. This compound is primarily sought after by research and development chemists and process engineers in the pharmaceutical and agrochemical industries for applications such as the synthesis of active pharmaceutical ingredients (APIs) and advanced crop protection agents.

Application

• Pharmaceutical Intermediate: A key synthon in the synthesis of complex drug molecules, particularly those requiring the introduction of a cyano or carboxylic acid derivative moiety.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides, leveraging its reactivity to form heterocyclic or branched-chain structures.
• Fine Chemical Production: Serves as a precursor for specialty chemicals, including flavors, fragrances, and advanced polymers.
• Academic & Industrial Research: Employed in method development and as a model compound for studying cyanoester chemistry and reaction mechanisms.
• Material Science: Potential use as a monomer or cross-linking agent in the development of specialized polymeric materials with specific thermal or mechanical properties.

Basic Information

Product Name	3-Cyano-3-Ethyl-5-Methylhexanoic Acid Ethyl Ester
CAS No.	90355-26-3
Molecular Formula	C₁₂H₂₁NO₂
Molecular Weight	211.30 g/mol
Synonyms	Ethyl 3-Cyano-3-ethyl-5-methylhexanoate; 3-Ethyl-3-cyano-5-methylhexanoic Acid Ethyl Ester; 5-Methyl-3-cyano-3-ethylhexanoic Acid Ethyl Ester; 3-Cyano-3-ethyl-5-methyl-hexanoic acid ethyl ester; Hexanoic acid, 3-cyano-3-ethyl-5-methyl-, ethyl ester; Ethyl 3-cyano-3-ethyl-5-methylhexanoate; CN-Et-MMA Ester (common abbreviation)
EINECS	Contact for details

Quality Control

Our production of 3-Cyano-3-Ethyl-5-Methylhexanoic Acid Ethyl Ester adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. Each lot is analyzed using advanced techniques including GC, HPLC, and NMR to verify identity, potency, and impurity profiles. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment, ensuring full transparency and compliance with your research or production requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area at a controlled 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 concentration changes. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC/HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Related Substances (GC/HPLC)	Total impurities ≤ 2.0%
Specific Gravity (20°C)	0.950 - 0.980
Refractive Index (20°C)	1.430 - 1.450

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