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2,4-Cyclohexadien-1-one, 2,3,4,5,6,6-hexamethyl- is an organic compound with the chemical formula C12H20O. It is a derivative of cyclohexadienone, featuring six methyl groups attached to the carbon atoms at positions 2, 3, 4, 5, and 6, with the carbonyl group (C=O) at position 1. 2,4-Cyclohexadien-1-one, 2,3,4,5,6,6-hexamethyl- is known for its unique structure and properties, which can be utilized in various chemical reactions and applications. It is an important intermediate in the synthesis of certain pharmaceuticals and agrochemicals, as well as a precursor in the production of fragrances and flavorings. Due to its complex structure, it is essential to handle 2,4-Cyclohexadien-1-one, 2,3,4,5,6,6-hexamethyl- with care and follow proper safety protocols during its synthesis and use.

3854-96-4

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3854-96-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3854-96-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,8,5 and 4 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 3854-96:
(6*3)+(5*8)+(4*5)+(3*4)+(2*9)+(1*6)=114
114 % 10 = 4
So 3854-96-4 is a valid CAS Registry Number.

3854-96-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-one

1.2 Other means of identification

Product number -
Other names 2,3,4,5,6,6-hexamethyl-cyclohexa-2,4-dienone

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:3854-96-4 SDS

3854-96-4Relevant academic research and scientific papers

Lewis Acid Catalyzed Enantioselective Photochemical Rearrangements on the Singlet Potential Energy Surface

Leverenz, Malte,Merten, Christian,Dreuw, Andreas,Bach, Thorsten

supporting information, p. 20053 - 20057 (2019/12/30)

The oxadi-methane rearrangement of 2,4-cyclohexadienones to bicyclic ketones was found to proceed with high enantioselectivity (92-97% ee) in the presence of catalytic amounts of a chiral Lewis acid (15 examples, 52-80% yield). A notable feature of the transformation is the fact that it proceeds on the singlet hypersurface and that no triplet intermediates are involved. Rapid racemic background reactions were therefore avoided, and the catalyst loading could be kept low (10 mol %). Computational studies suggest that the enantioselectivity is determined within a Lewis acid bound singlet intermediate via a conical intersection. The utility of the method was demonstrated by a concise synthesis of the natural product trans-chrysanthemic acid.

Remarkable effect of water on functionalization of the phenyl ring in methyl-substituted benzene derivatives with F-TEDA-BF4

Kralj, Petra,Zupan, Marko,Stavber, Stojan

, p. 3880 - 3888 (2007/10/03)

Various N-F reagents reacted with hexamethylbenzene (1) forming side chain substituted alkoxides or esters in protic solvents, Ritter type side chain functionalization was observed in acetonitrile in the presence of trifluoroacetic acid, while in aqueous

Rate constants for the gas-phase reaction of hexamethylbenzene with OH radicals and H atoms and of 1,3,5-trimethylbenzene with H atoms

Berndt,Boege

, p. 124 - 129 (2007/10/03)

Rate constants for the gas-phase reaction of hexamethylbenzene (HMB) with OH radicals and H atoms and of 1,3,5-trimethylbenzene (TMB) with H atoms have been obtained in a flow system at 295±2 K and a pressure of 25 mbar He using MS measurements. Obtained rate constants from a relative rate technique are k(OH+HMB) = (1.13±0.11) 10-10, k(H+HMB) = (5.9±3.4) 10-13 and k(H+TMB) = (4.6±2.7) 10-13 cm3 molecule-1 s-1, respectively.

Tricyclic alcohols

-

, (2008/06/13)

Tricyclic alcohol compounds having the formula: STR1 wherein each of R1, R2, R3, R4, R5 and R6 is selected from the group consisting of hydrogen and methyl; wherein the dashed line is a carbon-carbon single bond or a carbon-carbon double bond; and wherein, when the dashed line is a carbon-carbon single bond, one of R2 or R3 is hydrogen; useful in preparing compositions for augmenting or enhancing the flavor and/or aroma of consumble products including foods, tobacco and perfumes.

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