39199-22-9

Basic information

• Product Name: 3,3-dimethyl-1-phenoxybutan-2-one
• CAS NO: 39199-22-9
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.2542
• Mol File: 39199-22-9.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 271°C at 760 mmHg
• Flash Point: 105.8°C
• Density: 0.995g/cm³
• Vapor Pressure: 0.00661mmHg at 25°C
• Refractive Index: 1.492
• CAS DataBase Reference: 3,3-dimethyl-1-phenoxybutan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-dimethyl-1-phenoxybutan-2-one(39199-22-9)
• EPA Substance Registry System: 3,3-dimethyl-1-phenoxybutan-2-one(39199-22-9)

Safety Data

• Hazardous Substances Data: 39199-22-9(Hazardous Substances Data)

Usage

General Description

3,3-dimethyl-1-phenoxybutan-2-one is a chemical compound with the molecular formula C12H16O2. It is a ketone and contains a phenyl group and a butanone group. 3,3-dimethyl-1-phenoxybutan-2-one is used as a fragrance and flavoring agent in various consumer products such as perfumes, soaps, and food items. It is commonly found in cosmetics and personal care products for its pleasant floral scent. 3,3-dimethyl-1-phenoxybutan-2-one is also used as an intermediate in the synthesis of other organic compounds and is known for its low toxicity and high stability under normal conditions.

Upstream product

• 5469-26-1 1-Bromopinacolon 
• 139-02-6 sodium phenoxide 
• 141792-49-6 N-(1-Bromo-3,3-dimethyl-2-butylidene)isopropylamine 
• 17510-46-2 3,3-dimethyl-2-(trimethylsilyl)oxy-1-butene 
• 108-95-2 phenol 
• 75-97-8 3,3-dimethyl-butan-2-one 

Downstream Products

• 70300-25-3 3,3-dimethyl-1-phenoxy-2-pyridin-3-yl-butan-2-ol 

Relevant articles and documents

Synthesis of Vicinal Quaternary All-Carbon Centers via Acid-catalyzed Cycloisomerization of Neopentylic Epoxides

We report our studies on the development of a catalytic cycloisomerization of 2,2-disubstituted neopentylic epoxides to produce highly substituted tetralins and chromanes. Termination of the sequence occurs via Friedel-Crafts-type alkylation of the remote (hetero)arene linker. The transformation is efficiently promoted by sulfuric acid and proceeds best in 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) as the solvent. Variation of the substitution pattern provided detailed insights into the migration tendencies and revealed a competing disproportionation pathway of dihydronaphthalenes.

Biomimetic transfer hydrogenation of 2-alkoxy- and 2-aryloxyketones with iron-porphyrin catalysts

In situ generated iron porphyrins are applied as homogeneous catalysts in the transfer hydrogenation of α-substituted ketones. Using 2-propanol as hydrogen donor various protected 1,2-hydroxyketones are reduced to the corresponding mono-substituted 1,2-di

Synthesis and reactivity of α-halomethyl ketimines

The synthesis of N-(1-halo-2-alkylidene)amines, i.e. α-halomethyl ketimines, is described for the first time, utilizing the TiCl4-induced condensation of α-halomethyl ketones with primary amines. The reactivity of these new α-halomethylketimines was studied with respect to nucleophiles such as iodide, cyanide, alcohols, alkoxides, amines and thiolates. α-Halomethyl ketimines are powerful ambident electrophiles which underwent a variety of reactions leading to functionalized imines and heterocycles.