Description

Butanoic Acid, (1R,5S)-3,3,5-Trimethylcyclohexyl Ester, Rel- (9Ci) is a specialized chiral ester of butanoic acid, characterized by its unique sterically hindered cyclohexyl structure. This compound matters for its potential as a high-value intermediate in the synthesis of complex molecules, offering precise stereochemical control. It is primarily needed by R&D chemists and process development teams in the pharmaceutical, agrochemical, and fine fragrance industries for creating novel active ingredients and specialty chemicals.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of chiral active pharmaceutical ingredients (APIs) and prodrugs.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides with specific stereochemical requirements.
• Fine Fragrance & Flavor Ingredient: Serves as a precursor for musky or woody odorants and complex flavor molecules.
• Organic Synthesis Reagent: Valuable chiral synthon in academic and industrial research for constructing complex natural products and novel materials.
• Liquid Crystal & Advanced Material Research: Potential intermediate for developing chiral dopants and specialty polymers.

Basic Information

Product Name	Butanoic Acid, (1R,5S)-3,3,5-Trimethylcyclohexyl Ester, Rel- (9Ci)
CAS No.	828912-42-1
Molecular Formula	C13H24O2
Molecular Weight	212.33 g/mol
Synonyms	rel-(1R,5S)-3,3,5-Trimethylcyclohexyl Butyrate; (1R,5S)-3,3,5-Trimethylcyclohexyl Butanoate; Butanoic Acid 3,3,5-Trimethylcyclohexyl Ester (rel-); 3,3,5-Trimethylcyclohexyl Butyrate (chiral); Trimethylcyclohexyl Butyrate Isomer
EINECS	Contact for details

Quality Control

Our production of Butanoic Acid, (1R,5S)-3,3,5-Trimethylcyclohexyl Ester, Rel- (9Ci) adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. Each lot is analyzed using advanced chromatographic and spectroscopic techniques. A comprehensive Certificate of Analysis (COA) detailing purity, enantiomeric excess, and impurity profile is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). This compound is easily oxidized (store under inert atmosphere) and is light-sensitive (store away from light). 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)	≥ 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.