127896-25-7

Basic information

• Product Name: Benzenemethanol, 4-(1,1-dimethylethyl)-a-ethyl-
• CAS NO: 127896-25-7
• Molecular Formula: C13H20O
• Molecular Weight: 192.301
• Mol File: 127896-25-7.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: Benzenemethanol, 4-(1,1-dimethylethyl)-a-ethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanol, 4-(1,1-dimethylethyl)-a-ethyl-(127896-25-7)
• EPA Substance Registry System: Benzenemethanol, 4-(1,1-dimethylethyl)-a-ethyl-(127896-25-7)

Safety Data

• Hazardous Substances Data: 127896-25-7(Hazardous Substances Data)

Usage

Physical State

Colorless to pale yellow liquid

Primary Use

Fragrance ingredient in perfumes and cosmetic products

Secondary Uses

Flavoring agent in food products
Synthetic flavor enhancer in the tobacco industry
Intermediate in the production of other chemicals
Stabilizer in the manufacturing of polymers and plastics

Safety Precautions

Causes skin and eye irritation
Harmful if swallowed or inhaled

Upstream product

• 939-97-9 4-tert-Butylbenzaldehyde 
• 557-20-0 diethylzinc 
• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 123-38-6 propionaldehyde 
• 71209-71-7 p-tert-butylpropiophenone 

Downstream Products

• 3282-56-2 4-tert-butylnitrobenzene 
• 100-06-1 1-(4-methoxyphenyl)ethanone 
• 71209-71-7 p-tert-butylpropiophenone 

Relevant articles and documents

2,2′-Bipyridine-α,α′-trifluoromethyl-diol ligand: Synthesis and application in the asymmetric Et2Zn alkylation of aldehydes

A chiral 2,2′-bipyridine ligand (1) bearing α,α′-trifluoromethyl-alcohols at 6,6′-positions was designed in five steps affording either the R,R or S,S enantiomer with excellent stereoselectivities, i.e. 97% de, >99% ee and >99.5% de, >99.5% ee, respectively. The key step for reaching high levels of stereoselectivity was demonstrated to be the resolution of the α-CF3-alcohol using (S)-ibuprofen as the resolving agent. An initial application for the 2,2′-bipyridine-α,α′-CF3-diol ligand was highlighted in the ZnII-catalyzed asymmetric ethylation reaction of aromatic, heteroaromatic, and aliphatic aldehydes. Synergistic electron deficiency and steric hindrance properties of the newly developed ligand afforded the corresponding alcohols in good to excellent yields (up to 99%) and enantioselectivities (up to 95% ee). As observed from single crystal diffraction analysis, the complexation of the 2,2′-bipyridine-α,α′-CF3-diol ligand generates an unusual hexacoordinated ZnII.

A PROCESS FOR PREPARING FUNCTIONAL POLYMERS THROUGH ADDITION OF AMINO AND POLYMERYL GROUPS TO ALDEHYDE MOIETIES

The present disclosure relates to a one-pot process for synthesizing functional compounds or functional polymers by reacting an aldehyde with an alkyl-zinc or polymeryl-zinc composition in the presence of a specific Lewis acid, wherein the reaction is rapid and facile at high temperatures.

Synthesis of o-nitrosoacylbenzenes from o-nitrobenzyl alcohols and their derivatives

Nitration of substituted benzyl alcohols, as well as ethers and esters derived therefrom, with nitric acid in acetic anhydride was studied. The corresponding o-nitrobenzyl alcohols and their derivatives formed as the primary products are capable of being converted into o-nitrosoacylbenzenes by the action of acids. Pleiades Publishing, Inc., 2006.