Description

2-Butenoicacid,(1R,5R)-3,3,5-Trimethylcyclohexylester,Rel-(9Ci) is a high-purity, stereochemically defined ester derivative of 2-butenoic acid, also known as crotonic acid. This compound is valued for its role as a specialized chiral intermediate and building block in advanced organic synthesis. It is primarily utilized by research and development laboratories and fine chemical manufacturers in the pharmaceutical and agrochemical sectors.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the research and development of novel active pharmaceutical ingredients (APIs), particularly for constructing complex molecular architectures.
• Agrochemical Synthesis: Used in the production of advanced crop protection agents and pesticides where specific stereochemistry is required for biological activity.
• Flavor & Fragrance Ingredient: Acts as a precursor for synthesizing specific ester-based aroma chemicals and fragrance components.
• Polymer Modification: Employed as a functional monomer or cross-linking agent in the synthesis of specialty polymers with tailored properties.
• Organic Synthesis Research: A valuable reagent in academic and industrial R&D for methodologies involving stereoselective esterification and asymmetric synthesis.
• Liquid Crystal & Advanced Material Precursor: Used in the development of organic electronic materials and liquid crystal compounds.

Basic Information

Product Name	2-Butenoicacid,(1R,5R)-3,3,5-Trimethylcyclohexylester,Rel-(9Ci)
CAS No.	828912-43-2
Molecular Formula	C13H22O2
Molecular Weight	210.31 g/mol
Synonyms	(1R,5R)-3,3,5-Trimethylcyclohexyl (E)-but-2-enoate; rel-(1R,5R)-3,3,5-Trimethylcyclohexyl crotonate; Crotonic acid (1R,5R)-3,3,5-trimethylcyclohexyl ester; 2-Butenoic acid, (1R,5R)-3,3,5-trimethylcyclohexyl ester, rel-; (E)-3,3,5-Trimethylcyclohexyl crotonate (stereoisomer); (1R,5R)-3,3,5-Trimethylcyclohexyl 2-butenoate
EINECS	Contact for details

Quality Control

Our production of 2-Butenoicacid,(1R,5R)-3,3,5-Trimethylcyclohexylester,Rel-(9Ci) adheres to stringent quality protocols to ensure batch-to-batch consistency and high chemical purity. Each lot is characterized using advanced analytical techniques including HPLC, GC, and NMR to confirm identity, purity, and stereochemical integrity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Enantiomeric Excess (Chiral 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.