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1,2-Cyclohexanediol,4-(1-Methylethyl)-,(1Alpha,2Alpha,4Alpha)-(9Ci) CAS NO 115699-99-5


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CAS No.:115699-99-5

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

1,2-Cyclohexanediol,4-(1-Methylethyl)-,(1Alpha,2Alpha,4Alpha)-(9Ci) is a high-purity, stereochemically defined diol derivative of isophorone. This compound matters as a versatile chiral building block and intermediate, offering precise molecular geometry critical for synthesizing complex organic molecules. It is needed by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors for applications requiring high stereochemical fidelity.

Application

  • Pharmaceutical Intermediate: Serves as a key chiral synthon in the synthesis of active pharmaceutical ingredients (APIs), particularly for drugs targeting the central nervous system or possessing complex stereocenters.
  • Agrochemical Synthesis: Used in the production of advanced pesticides and herbicides where the specific stereochemistry of the diol influences biological activity and selectivity.
  • Ligand and Catalyst Preparation: Acts as a precursor for chiral ligands used in asymmetric catalysis, enabling enantioselective transformations in fine chemical manufacturing.
  • Polymer Modification: Employed as a monomer or cross-linking agent to introduce rigidity and specific functional groups into specialty polymers and resins.
  • Flavor and Fragrance Industry: Potential intermediate for the synthesis of high-value aroma chemicals with specific olfactory profiles.
  • Academic and R&D: A valuable compound for methodological development in organic synthesis and stereochemistry research.

Basic Information

Product Name 1,2-Cyclohexanediol,4-(1-Methylethyl)-,(1Alpha,2Alpha,4Alpha)-(9Ci)
CAS No. 115699-99-5
Molecular Formula C9H18O2
Molecular Weight 158.24 g/mol
Synonyms (1α,2α,4α)-4-Isopropyl-1,2-cyclohexanediol; 4-Isopropyl-1,2-cyclohexanediol (stereoisomer); cis-4-Isopropylcyclohexane-1,2-diol; 1,2-Dihydroxy-4-isopropylcyclohexane; Isophorone diol derivative; (1R,2R,4R)-4-(1-Methylethyl)cyclohexane-1,2-diol (if stereochemistry confirmed); 115699-99-5 (CAS Registry Number)
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Quality Control

Our 1,2-Cyclohexanediol,4-(1-Methylethyl)-,(1Alpha,2Alpha,4Alpha)-(9Ci) is produced under a strict quality management system. Each batch undergoes rigorous analytical testing to ensure identity, purity, and stereochemical integrity. We provide comprehensive Certificates of Analysis (COA) with data from techniques including HPLC, GC, and NMR. Specifications are designed to meet the demanding requirements of cGMP and ISO standards for advanced chemical intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive). Keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and potential degradation.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to reference spectrum
Assay (HPLC) ≥ 98.0%
Enantiomeric Excess (Chiral HPLC) ≥ 99.0%
Water Content (KF) ≤ 0.5%
Residue on Ignition ≤ 0.1%
Heavy Metals (as Pb) ≤ 10 ppm

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

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