39236-85-6

Basic information

• Product Name: 2-Hexyl-5-methylphenol
• Synonyms: 2-Hexyl-5-methylphenol
• CAS NO: 39236-85-6
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 0
• Mol File: 39236-85-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 290.5°C at 760 mmHg
• Flash Point: 134.4°C
• Appearance: /
• Density: 0.947g/cm³
• Vapor Pressure: 0.00118mmHg at 25°C
• Refractive Index: 1.513
• CAS DataBase Reference: 2-Hexyl-5-methylphenol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Hexyl-5-methylphenol(39236-85-6)
• EPA Substance Registry System: 2-Hexyl-5-methylphenol(39236-85-6)

Safety Data

• Hazardous Substances Data: 39236-85-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H20O/c1-3-4-5-6-7-12-9-8-11(2)10-13(12)14/h8-10,14H,3-7H2,1-2H3

Upstream product

• 108-39-4 3-methyl-phenol 
• 111-27-3 hexan-1-ol 
• 591-24-2 3-Methylcyclohexanone 

Downstream Products

• 54304-15-3 4-chloro-2-hexyl-5-methyl-phenol 

Relevant articles and documents

Dearomatization-Rearomatization Strategy for ortho-Selective Alkylation of Phenols with Primary Alcohols

Phenols are common precursors and core structures of a variety of industrial chemicals ranging from pharmaceuticals to polymers. However, the synthesis of site-specifically substituted phenols is challenging, and thus the development of new methods for this purpose would be highly desirable. Reported here is a protocol for palladium-catalyzed ortho-selective alkylation reactions of phenols with primary alcohols by a dearomatization-rearomatization strategy, with water as the sole by-product. Various substituted phenols and primary alcohols were compatible with the standard reaction conditions. The detailed mechanism of this transformation was also investigated.