68400-54-4

Basic information

• Product Name: 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one
• Synonyms: 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one;4''-tert-Butyl-2-hydroxy-2-methylpropiophenone;2-HYDROXY-2-METHYL-1-(4-TERT-BUTYL)PHENYL PROPAN-1-ONE;1-[4-(1,1-dimethylethyl) phenyl]-2-hydroxy-2-methyl-1-propanone;IHT-PI 185;1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone;1-(4-tert-Butylphenyl)-2-methyl-2-hydroxy-1-propanone
• CAS NO: 68400-54-4
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.3074
• EINECS: 270-044-5
• Mol File: 68400-54-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 327 °C at 760 mmHg
• Flash Point: 138.9 °C
• Appearance: /
• Density: 1.009 g/cm3
• Vapor Pressure: 8.43E-05mmHg at 25°C
• Refractive Index: 1.511
• PKA: 12.96±0.29(Predicted)
• CAS DataBase Reference: 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one(68400-54-4)
• EPA Substance Registry System: 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one(68400-54-4)

Safety Data

• Hazardous Substances Data: 68400-54-4(Hazardous Substances Data)

Usage

General Description

1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one, also known as diethylphenyl, is a chemical compound with the molecular formula C15H24O2. It is a yellowish liquid that is commonly used as a fragrance ingredient and flavoring agent in a variety of consumer products such as perfumes, toiletries, and cosmetics. It is also used in the production of plastics and as a solvent in industrial processes. It is known to have a sweet, fruity odor and has been deemed safe for use in consumer products by regulatory authorities. However, it may cause skin and eye irritation in some individuals and should be handled with caution.

InChI:InChI=1/C14H20O2/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4,5)16/h6-9,16H,1-5H3

Upstream product

• 60561-82-2 1-(4-(tert-butyl)phenyl)-2-methylpropan-1-one 
• 60561-83-3 1-(4-tert-butyl-phenyl)-2-methyl-propan-1-ol 
• 3972-65-4 1-bromo-4-tert-butylbenzene 

Relevant articles and documents

Photoinitiator 2 - methyl -2 - hydroxy 1 - [4 - (tert-butyl) phenyl] -1 - propanone preparation method

The invention discloses a photoinitiator 2 - methyl - 2 - hydroxy 1 - [4 - (tert-butyl) phenyl] - 1 - propanone preparation method, in order to 2 - methyl - - 1 - (tert-butyl) phenyl acetone as raw material, sodium hydroxide, sodium hypochlorite, ethanol mixed in the system, one-step reaction is transformed into the 2 - methyl - - 2 - hydroxy 1 - [4 - (tert-butyl) phenyl] - 1 - propanone. The material of the invention is cheap, simple operation, easy control of reaction conditions, is not only convenient for industrial production, but also improves the quality of the product.

Halogen-bonded iodonium ion catalysis: A route to α-hydroxy ketones: Via domino oxidations of secondary alcohols and aliphatic C-H bonds with high selectivity and control

A domino synthesis of α-hydroxy ketones has been developed from benzylic secondary alcohols employing catalytic iodonium ions stabilized by DMSO. The reaction proceeds through an unprecedented sequential oxidation of alcohols to ketone and its α-hydroxylation in a controlled manner. The spectroscopic evidence establishes the possibility of formation of a stable halogen-bonded adduct between DMSO and iodonium ions.

I2- or NBS-catalyzed highly efficient α-hydroxylation of ketones with dimethyl sulfoxide

An efficient method for the direct preparation of high synthetic valuable α-hydroxycarbonyls is described. The simple and readily available I2 or NBS was used as catalyst. DMSO acts as the oxidant, oxygen source, and solvent. A diverse range of tertiary Csp3-H bonds as well as more challenging secondary Csp3-H bonds could be hydroxylated in this transformation. The reaction is mild, less toxic and easy to perform.