42052-59-5

Basic information

• Product Name: 2,6-bis[hydroxy(phenyl)methyl]cyclohexanone
• Synonyms: 2,6-Bis-(hydroxy-phenyl-methyl)-cyclohexanone
• CAS NO: 42052-59-5
• Molecular Formula: C₂₀H₂₂O₃
• Molecular Weight: 310.3869
• Mol File: 42052-59-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 506.6°C at 760 mmHg
• Flash Point: 274.3°C
• Density: 1.212g/cm³
• Vapor Pressure: 4.38E-11mmHg at 25°C
• Refractive Index: 1.613
• CAS DataBase Reference: 2,6-bis[hydroxy(phenyl)methyl]cyclohexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-bis[hydroxy(phenyl)methyl]cyclohexanone(42052-59-5)
• EPA Substance Registry System: 2,6-bis[hydroxy(phenyl)methyl]cyclohexanone(42052-59-5)

Safety Data

• Hazardous Substances Data: 42052-59-5(Hazardous Substances Data)

Upstream product

• 108-94-1 cyclohexanone 
• 100-52-7 benzaldehyde 

Downstream Products

• 897-78-9 2,6-bis(phenylmethylene)cyclohexanone 
• 108-94-1 cyclohexanone 
• 100-52-7 benzaldehyde 

Relevant articles and documents

Synthesis, spectroscopic investigations (X-ray, NMR and TD-DFT), antimicrobial activity and molecular docking of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone

The synthesis of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone 1 is described. The molecular structure of the title compound 1 was confirmed by NMR, FT-IR, MS, CHN microanalysis, and X-ray crystallography. The molecular structure was also investigated by a set of computational studies and found to be in good agreement with the experimental data obtained from the various spectrophotometric techniques. The antimicrobial activity and molecular docking of the synthesized compound was investigated.