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1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one, commonly known as diethylphenyl, is a chemical compound with the molecular formula C15H24O2. It is a yellowish liquid characterized by a sweet, fruity odor. 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one is recognized for its use as a fragrance ingredient and flavoring agent in various consumer products, including perfumes, toiletries, and cosmetics. Additionally, it finds application in the production of plastics and serves as a solvent in industrial processes. Regulatory authorities have deemed it safe for use in consumer products, although it may cause skin and eye irritation in some individuals, necessitating careful handling.

68400-54-4

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68400-54-4 Usage

Uses

Used in Fragrance Industry:
1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one is used as a fragrance ingredient for its sweet, fruity scent, adding desirable aroma characteristics to perfumes and toiletries.
Used in Cosmetics Industry:
In the cosmetics industry, 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one is used as a flavoring agent to enhance the sensory experience of cosmetic products, making them more appealing to consumers.
Used in Plastics Production:
1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one is utilized in the production of plastics, contributing to the development of materials with specific properties for various applications.
Used as an Industrial Solvent:
1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one also serves as a solvent in industrial processes, where its chemical properties facilitate various technical operations and reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 68400-54-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,8,4,0 and 0 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 68400-54:
(7*6)+(6*8)+(5*4)+(4*0)+(3*0)+(2*5)+(1*4)=124
124 % 10 = 4
So 68400-54-4 is a valid CAS Registry Number.
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

68400-54-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one

1.2 Other means of identification

Product number -
Other names 2-Hydroxy-2-methyl-1-(4-tert-butyl)phenylpropan-1-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:68400-54-4 SDS

68400-54-4Downstream Products

68400-54-4Relevant academic research and scientific papers

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

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Paragraph 0014; 0015; 0016, (2018/07/15)

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.

Process for preparing photoinitiator 185

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Paragraph 0035; 0038; 0039; 0042; 0043; 0046, (2019/01/16)

The invention provides a process for preparing a photoinitiator 185 and belongs to the field of photoinitiator preparation processes. The process includes a high temperature ketone preparing process:liquefy and mixing tert-butylbenzoic acid and iso-butyric acid and then obtaining a reaction mixed liquid, preheating the reaction mixed liquid and causing the reaction mixed liquid to come into contact with a metal salt catalyst, removing carbon dioxide through dehydration at a high temperature (300-500 DEG C) to manufacture ketone, and obtaining 2-methyl-1-[4-(tert-butyl)phenyl]-1-acetone; a one-pot method chlorination alkaline hydrolysis process: taking 2-methyl-1-[4-(tert-butyl)phenyl]-1-acetone, taking carbon tetrachloride and sodium hydroxide as reagents, taking tetrabutylammonium bromide as a phase transfer catalyst, and performing one-pot method chlorination and alkaline hydrolysis to obtain 2-hydroxyl-2-methyl-1-[4-(tert-butyl)phenyl]-1-acetone. According to the process, the use of hazardous chemicals such as phosphorus trichloride, aluminum trichloride and flammable carcinogenic raw material benzene in the prior art is eliminated, and the safety and environmental protection pressure of the whole process is effectively improved, and the treatment cost of three wastes is greatly reduced.

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

Guha, Somraj,Kazi, Imran,Mukherjee, Pranamita,Sekar, Govindasamy

, p. 10942 - 10945 (2017/10/13)

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.

Α - hydroxy ketone compound low priced high-efficient synthetic method

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Paragraph 0170-0173, (2017/08/25)

The invention discloses a cheap and efficient synthesis method of an alpha-hydroxyketone compound. The synthesis method is characterized in that a carbonyl compound undergoes an oxidation hydroxylation reaction at 10-120DEG C under normal pressure with iodine simple substance, N-bromosuccimide, copper bromide, bromine simple substance, hydrogen bromide, N-iodosuccimide or hydrogen iodide as a catalyst, sulfoxide as an oxidant, water or sulfoxide as a hydroxy source and sulfoxide, ethyl acetate, N,N-dimethyl formamide, acetonitrile, toluene, 1,4-dioxane, 1,2-dichloroethane, tetrahydrofuran or H2O as a solvent, and converts into the alpha-hydroxyketone compound in a high selectivity manner. Compared with traditional synthesis methods, the method disclosed in the invention has the advantages of simple operation, high yield, simple conditions, easy purification, small waste discharge amount, simple reaction apparatus, and easy industrial production. The method has wide applicability and can be used for synthesizing various alpha-hydroxyketone compounds.

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

Liang, Yu-Feng,Wu, Kai,Song, Song,Li, Xinyao,Huang, Xiaoqiang,Jiao, Ning

supporting information, p. 876 - 879 (2015/04/14)

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.

Photosensitive hydroxyalkylphenones

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, (2008/06/13)

Compounds of the formula STR1 wherein R1 is hydrogen, chlorine, phenyl, dialkylamino of 2-4 carbon atoms or alkyl or alkoxy each of up to 18 carbon atoms; R2 is hydrogen, chlorine, bromine or alkyl or alkoxy each of up to 4 carbon atoms; R3 and R4, which can be the same or different, each is hydrogen or alkyl of up to 6 carbon atoms; R5 is hydrogen or alkyl or alkanoyl each of up to 4 carbon atoms; and R6 is hydrogen or methyl, with the proviso that not all of R1 to R6 simultaneously are hydrogen, are effective photosensitizers, especially for photopolymerization of unsaturated compounds and for hardening of printing dyes.

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