Description

Propanoic Acid, 2-Methyl-, (1R,5R)-3,3,5-Trimethylcyclohexyl Ester, Rel- is a high-purity, chiral ester derivative of 2-methylpropanoic acid and a substituted cyclohexanol. This compound matters for its role as a versatile chiral intermediate and building block in advanced organic synthesis, offering a defined stereochemistry critical for producing optically active molecules. It is needed by research and development teams, as well as process chemists, in the pharmaceutical, agrochemical, and fine chemical industries for applications such as fragrance development, asymmetric synthesis, and the creation of novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the synthesis of novel active pharmaceutical ingredients (APIs) requiring specific stereochemistry.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides where the defined spatial orientation of the molecule influences biological activity.
• Fragrance & Flavor Ingredient: Acts as a potential precursor or modifier in the creation of complex, high-value aroma chemicals due to its specific ester structure and volatility profile.
• Asymmetric Catalysis Research: Employed as a substrate or ligand precursor in academic and industrial research focused on developing new catalytic asymmetric reactions.
• Fine Chemical Building Block: Utilized in custom synthesis and contract manufacturing for producing specialty chemicals with tailored properties.
• Material Science Research: Investigated as a monomer or modifying agent in the synthesis of specialized polymers with unique thermal or optical characteristics.

Basic Information

Product Name	Propanoic Acid, 2-Methyl-, (1R,5R)-3,3,5-Trimethylcyclohexyl Ester, Rel-
CAS No.	828912-39-6
Molecular Formula	C13H24O2
Molecular Weight	212.33 g/mol
Synonyms	(1R,5R)-3,3,5-Trimethylcyclohexyl 2-methylpropanoate; rel-(1R,5R)-3,3,5-Trimethylcyclohexyl isobutyrate; Isobutyric Acid (1R,5R)-3,3,5-Trimethylcyclohexyl Ester; 2-Methylpropanoic Acid (1R,5R)-3,3,5-Trimethylcyclohexyl Ester; (1R,5R)-3,3,5-Trimethylcyclohexyl Isobutyrate; Chiral Isobutyrate Cyclohexyl Ester; (1R,5R)-Fenchyl Isobutyrate (related structure)
EINECS	Contact for details

Quality Control

Our Propanoic Acid, 2-Methyl-, (1R,5R)-3,3,5-Trimethylcyclohexyl Ester, Rel- is produced under strict quality management systems. Each batch undergoes rigorous analytical testing to ensure identity, purity, and enantiomeric excess meet stringent specifications. Certificates of Analysis (COA) detailing results from chiral HPLC, GC, NMR, and other relevant methods are provided to guarantee traceability and compliance with your research or production 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). Due to its highly volatile nature, ensure containers are securely sealed when not in use to prevent evaporation and potential concentration changes.

Specification

Item	Specification
Appearance	Colorless to pale yellow clear liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 98.0%
Specific Rotation	Contact for details
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.