Description

4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]Phenol (CAS No. 438000-15-8) is a high-purity organic compound with the molecular formula C₂₃H₃₆O. This bicyclohexyl derivative is characterized by its trans,trans stereochemistry and phenolic functional group, making it a valuable intermediate for advanced chemical synthesis and material science research. Its IUPAC name, 4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol, reflects its precise structural configuration.

This compound is supplied as a white to off-white crystalline solid with exceptional purity (>98%) and is ideal for applications requiring rigid, sterically defined aromatic systems. Its unique bicyclohexyl backbone provides enhanced thermal and chemical stability, making it suitable for liquid crystal research, polymer modification, and pharmaceutical development. Store in a cool, dry place under inert conditions to ensure long-term stability.

Properties

• CAS Number: 438000-15-8
• Complexity: 328
• IUPAC Name: 4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol
• InChI: InChI=1S/C23H36O/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h14-21,24H,2-13H2,1H3
• InChI Key: FUASIVJEPLQPAI-UHFFFAOYSA-N
• Exact Mass: 328.276615768
• Molecular Formula: C23H36O
• Molecular Weight: 328.5
• SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)O
• Topological: 20.2
• Monoisotopic Mass: 328.276615768
• Synonyms: 438000-15-8, 4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]Phenol, 4-[(trans,trans)-4-Pentyl[1,1-bicyclohexyl]-4-yl]phenol, MFCD22380669, SCHEMBL10909312, SCHEMBL10909315, AC6146, 4-(4′-Pentylbi(cyclohexan)-4-yl)phenol, 4-[(trans,trans)-4 inverted exclamation mark -Pentyl[1,1 inverted exclamation mark -bicyclohexyl]-4-yl]phenol, SY225209, DB-218392, Phenol, 4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]-, Phenol,4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]-

Application

4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]Phenol is primarily used in the development of liquid crystal materials for displays and optoelectronic devices due to its rigid, anisotropic structure. It also serves as a key intermediate in synthesizing advanced polymers with tailored thermal and mechanical properties. Researchers leverage its phenolic group for further functionalization in supramolecular chemistry and drug discovery.

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