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Cyclohexanone, 4-(1,1-dimethylethyl)-2-methyl-, also known as 4-tert-butyl-2-methylcyclohexanone, is a chemical compound that belongs to the cyclohexanone family. It is a colorless liquid with a faint odor and is soluble in organic solvents. Cyclohexanone, 4-(1,1-dimethylethyl)-2-methylis commonly used as an intermediate in the synthesis of various compounds, including pharmaceuticals, agrochemicals, and fragrances.

5064-52-8

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5064-52-8 Usage

Uses

Used in Pharmaceutical Industry:
Cyclohexanone, 4-(1,1-dimethylethyl)-2-methylis used as an intermediate in the synthesis of various pharmaceutical compounds for its ability to react and form new molecules that possess therapeutic properties.
Used in Agrochemical Industry:
Cyclohexanone, 4-(1,1-dimethylethyl)-2-methylis used as an intermediate in the production of agrochemicals, contributing to the development of pesticides and other agricultural products that help increase crop yields and protect plants from pests.
Used in Fragrance Industry:
Cyclohexanone, 4-(1,1-dimethylethyl)-2-methylis utilized as an intermediate in the synthesis of fragrances, allowing for the creation of unique scents for various applications such as perfumes, cosmetics, and household products.
Used in Plasticizer Production:
It is used as a component in the production of plasticizers, which are additives that increase the flexibility and workability of plastics, making them more suitable for various applications.
Used in Resin Production:
Cyclohexanone, 4-(1,1-dimethylethyl)-2-methylis employed in the manufacturing of resins, which are used to produce a wide range of products, including coatings, adhesives, and composite materials.
Used in Rubber Chemical Production:
Cyclohexanone, 4-(1,1-dimethylethyl)-2-methylis used in the production of rubber chemicals, which are essential for enhancing the properties of rubber and improving its performance in various applications.
Used in Coating and Adhesive Formulation:
Cyclohexanone, 4-(1,1-dimethylethyl)-2-methylis utilized in the formulation of coatings and adhesives, contributing to their overall performance and durability.
It is important to handle Cyclohexanone, 4-(1,1-dimethylethyl)-2-methylwith care, as it can be harmful if ingested, inhaled, or comes into contact with the skin.

Check Digit Verification of cas no

The CAS Registry Mumber 5064-52-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,0,6 and 4 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 5064-52:
(6*5)+(5*0)+(4*6)+(3*4)+(2*5)+(1*2)=78
78 % 10 = 8
So 5064-52-8 is a valid CAS Registry Number.

5064-52-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-tert-butyl-2-methylcyclohexan-1-one

1.2 Other means of identification

Product number -
Other names 4-tert-butyl-2-methyl-cyclohexanone

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:5064-52-8 SDS

5064-52-8Relevant academic research and scientific papers

Bi+3-Catalyzed Regeneration of Carbonyl Compounds from Hydrazones under Microwave Irradiation

Boruah, Anima,Baruah, Bipul,Prajapati, Dipak,Sandhu, Jagir S.

, p. 1251 - 1252 (2007/10/03)

A new and efficient method for the hydrolytic cleavage of C=N bond of dimethyl and tosylhydrazones 1, to yield their corresponding carbonyl compounds 2, with catalytic quantities of bismuth trichloride in wet tetrahydrofuran under microwave irradiation has been developed.

Hydrogen shifts in cyclohexylcarbenes. Spatial dependence of activating power and of primary deuterium isotope effects

Kenar, James A.,Nickon, Alex

, p. 14871 - 14894 (2007/10/03)

The conformationally biased ketones 4-t-butyl-cis-2-methylcyclohexanone (1c) and 4-t-butyl-cis-2-trans-6-dimethylcyclohexanone (7a; and its 2,6-dideuterio derivative 7c) were converted into p-toluenesulfonylhydrazone Li salts. Thermolysis or photolysis generated putative singlet carbenes, which underwent competitive axial vs equatorial H shift (or D shift in the case of 7c) to give alkenes. Product analysis showed that a bystander Me(eq) substituent promotes a geminal H shift several times more efficiently than does a bystander Me(ax). This geometry-dependent activating power parallels behavior noted earlier for OMe and Ph bystander groups; but as Me groups are rotationally symmetric and possess no lone pair or π electrons this phenomenon cannot be attributed solely to rotameric considerations or to effects involving mobile electron clouds. For the trans-dimethylcarbenes 10a and 10c the primary deuterium isotope effect (k(H)/k(D)) for axial migration (I(ax)) was determined to be ca. 1.5 times larger than that for equatorial migration (I(eq)). This finding invalidates the common assumption that I(ax) = I(eq) and suggests that published data on deuterium isotope effects and on H(ax)/H(eq) migration selectivities need to be adjusted.

Axial/equatorial proportions for 2-substituted cyclohexanones

Basso,Kaiser,Rittner,Lambert

, p. 7865 - 7869 (2007/10/02)

Axial-equatorial conformational proportions have been measured for 2- substituted cyclohexanones in chloroform by the Eliel method for F, Cl, Br, I, MeO, MeS, Me2N, MeSe, and Me. For the first seven of these, at least five experimentally independent measurables were used and the resulting conformational preferences appear to be accurate to within 10%. Systematic errors degraded the results for MeSe and Me. For Me2N, the conformational preference also was measured for the first time at slow exchange in the low- temperature 13C spectrum in several solvents. In chloroform, steric and polar effects contribute to the conformational preferences, with steric effects dominant for large groups such as I and MeS.

Alkyl Migration in Competition with Phenylthio Migration in the Acid-catalysed Rearrangement of Alcohols

Hannaby, Malcolm,Warren, Stuart

, p. 3007 - 3014 (2007/10/02)

Sulfonate derivatives of conformationally rigid syn-2-phenylthiocyclohexanols, which are prevented from phenylthio migration by stereochemistry, rearrange slowly by alkyl migration or ring contraction.In contrast to other electronegative groups, phenylthio slows the reaction down but allows migration of other groups.

Activation of Reducing Agents. Sodium Hydride Containing Complex Reducing Agents. 36. Stereoselective Reduction of Alkylcyclohexanones and Rigid Ketones by MCRA's

Fort, Yves,Feghouli, Abdelhafid,Vanderesse, Regis,Caubere, Paul

, p. 5911 - 5915 (2007/10/02)

The stereoselectivity of reduction of selected ketones by a variety of Complex Reducing Agents (resulting from the Aggregative Activation of NaH and symbolized MCRA's) has been investigated.The stereochemistry of reduction is shown to be dependent on the nature of the metal.Steric hindrance plays an important role and the apparent size of the reagents follows the trend MnCRA's > ZnCRA's, CdCRA's > NiCRA's, CoCRA's.On the other hand NiCRA's and CoCRA's have been found as very strong isomerizing reagents.Insertion of the metal species into the C-O bond with formation of metallacycles appears as one of the possible mechanisms intervening during the reduction of ketones by MCRA's.

Stereochemistry of Nucleophilic Reductions of 2-Methyl-4-t-butylcyclohexanones. Further Support for the Linear Combination of SSC and PSC Stereochemical Models

Fang, Jim-Min,Sun, Shih-Feng,Rei, Min-Hon

, p. 747 - 750 (2007/10/02)

trans-2-Methyl-4-t-butylcyclohexanone reacts with lithium aluminum hydride, lithium trimethoxyaluminium hydride and methyl-lithium with equal stereoselectivity of axial attack (i. e. 95 +/- 1 percent).This is attributed to the equal steric strain control

Kinetics of Decarboxylation of the Two Epimers of 5-tert-Butyl-1-methyl-2-oxocyclohexanecarboxylic Acid: Lack of Stereoelectronic Control in β-Keto Acid Decarboxylation

Kayser, Robert H.,Brault, Margaret,Pollack, Ralph M.,Bantia, Shanta,Sadoff, Scott F.

, p. 4497 - 4502 (2007/10/02)

Rates of decarboxylation of the two epimers of 5-tert-butyl-1-methyl-2-oxocyclohexanecarboxylic acid have been measured under both acidic and basic conditions at 25 deg C.The decomposition of isomer 1e (methyl and tert-butyl trans) is more rapid than that

Fluoride-Mediated Reactions of Enol Silyl Ethers. Regiospecific Monoalkylation of Ketones

Kuwajima, Isao,Nakamura, Eiichi,Shimizu, Makoto

, p. 1025 - 1030 (2007/10/02)

Treatment of enol silyl ethers with alkyl halides in the presence of benzyltrimethylammonium fluoride and molecular sieves at room temperature gives the corresponding monoalkylated products with high regiospecificity.In most cases no polyalkylated products formed in the reaction.The alkylation reaction is highly chemospecific: esters, epoxides, and even ketones survive the reaction conditions.The reactions of various cyclohexanone derivatives proceed with the preferential axial attack of the electrophile.

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