Description

[(1R,2S)-2-hydroxycyclohexyl] acetate (CAS No. 13858-62-3) is a high-purity chiral compound with the molecular formula C₈H₁₄O₃. This stereospecific acetate derivative of cyclohexanediol is widely utilized in organic synthesis, pharmaceutical research, and fragrance applications due to its unique structural and stereochemical properties. The compound is supplied as a clear, colorless to pale-yellow liquid with a characteristic mild ester-like odor. It is rigorously tested for purity (typically ≥97% by GC) and stored under controlled conditions to ensure stability. [(1R,2S)-2-hydroxycyclohexyl] acetate is particularly valuable for asymmetric synthesis, chiral auxiliaries, and as a building block for complex molecules. Proper handling requires storage in a cool, dry place under inert atmosphere to prevent hydrolysis or racemization.

Properties

• CAS Number: 13858-62-3
• Complexity: 144
• IUPAC Name: [(1R,2S)-2-hydroxycyclohexyl] acetate
• InChI: InChI=1S/C8H14O3/c1-6(9)11-8-5-3-2-4-7(8)10/h7-8,10H,2-5H2,1H3/t7-,8+/m0/s1
• InChI Key: GCPZLJNKHNJVGF-JGVFFNPUSA-N
• Exact Mass: 158.094294304
• Molecular Formula: C8H14O3
• Molecular Weight: 158.19
• SMILES: CC(=O)O[C@@H]1CCCC[C@@H]1O
• Topological: 46.5
• Monoisotopic Mass: 158.094294304
• Synonyms: 13858-62-3, 1,2-Cyclohexanediol, 1-acetate, (1R,2S)-rel-

Application

This chiral acetate serves as a key intermediate in the synthesis of enantiomerically pure pharmaceuticals and agrochemicals. Researchers employ it as a stereospecific building block for prostaglandin analogs and other bioactive molecules. The compound’s hydroxyl and acetate functional groups allow for diverse chemical modifications, making it valuable for structure-activity relationship studies. In fragrance chemistry, it contributes to woody-herbal scent profiles in specialty perfumery.

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