18627-04-8

Basic information

• Product Name: 4-methyl-2-(1-methylheptyl)phenol
• Synonyms: 4-methyl-2-(1-methylheptyl)phenol
• CAS NO: 18627-04-8
• Molecular Weight: 220.355
• Mol File: 18627-04-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 4-methyl-2-(1-methylheptyl)phenol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methyl-2-(1-methylheptyl)phenol(18627-04-8)
• EPA Substance Registry System: 4-methyl-2-(1-methylheptyl)phenol(18627-04-8)

Safety Data

• Hazardous Substances Data: 18627-04-8(Hazardous Substances Data)

Upstream product

• 106-44-5 p-cresol 
• 111-66-0 oct-1-ene 
• 4128-31-8 rac-octan-2-ol 

Relevant articles and documents

Mechanistic Study of a Re-Catalyzed Monoalkylation of Phenols

A mechanistic study of a rhenium catalyzed monoalkylation of phenols is described. Reaction kinetics reveals a zero-order dependence on both alkene and phenol and a half order dependence on catalyst. Isotopic labeling studies, competition experiments, kinetic isotope effects, and Hammett analysis together afford experimental data consistent with a reversible C-H activation step and an irreversible hydrometalation process. The turnover-limiting step is identified as catalyst deaggregation. NMR studies of binary mixtures of catalyst and a single substrate (alkene or phenol) as well as those of reaction mixtures identify potential intermediates and off-cycle species. Despite the numerous Re complexes formed in these mixtures, the overall reaction is both high yielding and highly selective for monoalkylation of phenols.