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Dimedone, also known as 5,5-dimethyl-1,3-cyclohexanedione, is an organic compound commonly used as a synthetic intermediate in the production of various pharmaceuticals, agrochemicals, and other chemicals. It is a white crystalline solid with a molecular formula of C8H12O2 and a molecular weight of 140.18 g/mol. Dimedone is known for its ability to form stable hydrazones with aldehydes and ketones, which makes it a valuable reagent in organic synthesis. It is also used as a chelating agent for metal ions and as a stabilizer in the production of certain polymers. The compound is typically synthesized through the condensation of acetone with acetone cyanohydrin, followed by hydrolysis and decarboxylation. Due to its reactivity and versatility, dimedone plays a significant role in the chemical industry and research.

3471-13-4

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3471-13-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3471-13-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,4,7 and 1 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 3471-13:
(6*3)+(5*4)+(4*7)+(3*1)+(2*1)+(1*3)=74
74 % 10 = 4
So 3471-13-4 is a valid CAS Registry Number.

3471-13-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5,5-Dimethyl-cyclohex-2-enone-3-ol

1.2 Other means of identification

Product number -
Other names -

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

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More Details:3471-13-4 SDS

3471-13-4Relevant academic research and scientific papers

Kinetic Studies of Fast Equilibrium by Means of High-Performance Liquid Chromatography. XVII. Separation of Tautomers of 1,3-Cyclohexanediones

Moriyasu, Masataka,Kato, Atsushi,Hashimoto, Yohei

, p. 2955 - 2956 (1988)

Tautomers of 1,3-cyclohexanediones have been separated by means of low-temperature high-performance liquid chromatography (HPLC).The ratios of keto- and enol-forms have been found to be highly solvent dependent, which is explained in terms of solute-solvent and solute-solute hydrogen bonding.

Alkylation of methylene-active compounds with halo acetals and hydrolysis of the alkylation products

Ismailov,Yusubov,Sadykhova,Gasymov,Ibragimova,Mamedov

, p. 1390 - 1393 (2016/11/29)

A preparative procedure has been proposed for the alkylation of CH acids with halo acetals and hydrolysis of the alkylation products to furan derivatives and lactones.

Solvent Effects on Keto-Enol Equilibria: Tests of Quantitative Models

Mills, Sander G.,Beak, Peter

, p. 1216 - 1224 (2007/10/02)

The effect of solvent on the equilibrium constants between selected keto-enol isomer pairs has been determined.The protomeric systems studied are 5,5-dimethyl-1,3-cyclohexanedione (1), 2-methyl-1,3-cyclohexanedione (3), 3-oxabicyclo-2,9-dioxononane (5), 2,4-pentanedione (7), ethyl 3-oxobutanoate (9), and 9-anthracenone (11).A wide variety of theoretical and empirical solvation parameters have been tested in a multiparameter linear free energy format to model the changes in equilibria.The most successful correlations are obtained with the Kamlet-Taft polarity-polarizability and hydrogen-bonding terms, although the Swain A and B factors have advantages in same cases.In general, for the isomer pairs in which the enol cannot form an internal hydrogen bond (1-2, 3-4, and 11-12), the equilibria appear to be controlled almost completely by the hydrogen-bonding basicity of the solvent.For the isomer pairs 5-6, 7-8, and 9-10, in which intramolecular hydrogen bonding is possible, the polarity-polarizability effect dominates, although differential stabilization of the isomers by hydrogen bonding remains significant.

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