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Cyclohexanecarboxylic acid isopropyl ester, with the molecular formula C11H20O2, is a colorless, clear liquid that is insoluble in water. It has a sweet, fruity odor and is considered to be a moderately volatile compound. This chemical compound is commonly used as a solvent in various industrial and commercial applications, such as in the production of perfumes, pharmaceuticals, and other organic synthesis processes. It may also be used as an intermediate in the manufacturing of other chemicals. However, due to its flammable and potentially hazardous nature, it is important to handle and use this chemical with care.

6553-80-6

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6553-80-6 Usage

Uses

Used in Perfume Industry:
Cyclohexanecarboxylic acid isopropyl ester is used as a solvent for the production of perfumes, providing a sweet, fruity odor that enhances the fragrance.
Used in Pharmaceutical Industry:
This chemical compound is used as a solvent in the pharmaceutical industry, aiding in the manufacturing process of various medications.
Used in Organic Synthesis:
Cyclohexanecarboxylic acid isopropyl ester is used as a solvent in organic synthesis processes, facilitating the production of a range of chemical compounds.
Used as an Intermediate in Chemical Manufacturing:
This ester serves as an intermediate in the manufacturing of other chemicals, contributing to the development of various chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 6553-80-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,5,5 and 3 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6553-80:
(6*6)+(5*5)+(4*5)+(3*3)+(2*8)+(1*0)=106
106 % 10 = 6
So 6553-80-6 is a valid CAS Registry Number.

6553-80-6SDS

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 Isopropyl Cyclohexanecarboxylate

1.2 Other means of identification

Product number -
Other names propan-2-yl cyclohexanecarboxylate

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:6553-80-6 SDS

6553-80-6Relevant academic research and scientific papers

Cryoelectrochemistry: Electrochemical reduction of 2(RS)-methyl 1-(tert-butoxycarbonyl)-2-iodomethyl-2,5-dihydropyrrole-2-carboxylate

Banks, Craig E.,Evans, Russell G.,Rodrigues, Jason,Turner, Peter G.,Donohoe, Timothy J.,Compton, Richard G.

, p. 2365 - 2372 (2005)

Cryoelectrochemisty with cyclic voltammetry and chronoamperometry has been applied to give an insight into a reductive pyrroline ring opening reaction, and has allowed the number of electrons participating in the reaction to be deduced from potential step experiments.

Alkoxycarbonylation of olefins with carbon dioxide by a reusable heterobimetallic ruthenium-cobalt catalytic system

Zhang, Xuehua,Shen, Chaoren,Xia, Chungu,Tian, Xinxin,He, Lin

supporting information, p. 5533 - 5539 (2019/01/03)

The heterobimetallic ruthenium-cobalt catalytic system exhibited good catalytic performance and reusability in the reductive alkoxycarbonylation of olefins with carbon dioxide. Compared to the previous system only consisting of ruthenium catalyst, the binary catalyst system effectively reduced the usage of noble metal and ionic liquid additives. The respective contribution of ruthenium and cobalt catalysts in this multiple-step catalytic process was investigated by a series of condition-controlled experiments. The evolution of the ruthenium catalyst and the occurrence of alkene hydrogenation during the reaction was explained by theortical calculations.

Oxidative Alkane C?H Alkoxycarbonylation

Lu, Lijun,Shi, Renyi,Liu, Luyao,Yan, Jingwen,Lu, Fangling,Lei, Aiwen

supporting information, p. 14484 - 14488 (2016/10/03)

Directly utilizing a chemical feedstock to construct valuable compounds is an attractive prospect in organic synthesis. In particular, the combination of C(sp3)?H activation and oxidative carbonylation involving alkanes and CO gas is a promising and efficient method to synthesize carbonyl derivatives. However, due to the high C?H bond dissociation energy and low polarity of unactivated alkanes, the carbonylation of unactivated C(sp3)?H bonds still remains a great challenge. In this work, we introduce a palladium-catalyzed radical oxidative alkoxycarbonylation of alkanes to prepare numerous alkyl carboxylates. Various alkanes and alcohols were compatible, generating the desired products in up to 94 % yield. Remarkably, ethane, a constituent of natural gas, could be employed as a substrate under the standard reaction conditions. Preliminary mechanistic studies revealed a probable palladium-catalyzed radical process.

Low-Pressure Radical11C-Aminocarbonylation of Alkyl Iodides through Thermal Initiation

Chow, Shiao Y.,Odell, Luke R.,Eriksson, Jonas

, p. 5980 - 5989 (2016/12/26)

A radical11C-aminocarbonylation protocol characterized by excellent substrate compatibility was developed to transform alkyl iodides into11C-labelled amides, including the 11β-HSD1 inhibitor [carbonyl-11C]adamantan-1-yl(piperidin-1-yl)methanone. This protocol serves as a complementary extension of palladium-mediated11C-aminocarbonylation, which is limited to the preparation of11C-labelled compounds lacking beta-hydrogen atoms. The use of AIBN as a radical initiator and a low-pressure xenon–[11C]CO delivery unit represents a simple and convenient alternative to previous radical11C-carbonylation methodologies burdened with the need for a proprietary high pressure reactor connected to a light source.

Ester Formation via Nickel-Catalyzed Reductive Coupling of Alkyl Halides with Chloroformates

Zheng, Min,Xue, Weichao,Xue, Teng,Gong, Hegui

supporting information, p. 6152 - 6155 (2016/12/09)

The synthesis of alkyl esters from readily available alkyl halides and chloroformates was achieved for the first time using a mild Ni-catalyzed reductive coupling protocol. Unactivated primary and secondary alkyl iodides as well as glycosyl, benzyl, and aminomethyl halides were successfully employed to yield products in moderate to excellent yields with high functional group tolerance.

Nickel-catalyzed dehydrogenative cross-coupling: Direct transformation of aldehydes into esters and amides

Whittaker, Aaron M.,Dong, Vy M.

supporting information, p. 1312 - 1315 (2015/01/30)

By exploring a new mode of nickel-catalyzed cross-coupling, a method to directly transform both aromatic and aliphatic aldehydes into either esters or amides has been developed. The success of this oxidative coupling depends on the appropriate choice of catalyst and organic oxidant, including the use of either α,α,α-trifluoroacetophenone or excess aldehyde. Mechanistic data that supports a catalytic cycle involving oxidative addition into the aldehyde C-H bond is also presented.

Hydroesterification of alkenes with sodium formate and alcohols promoted by cooperative catalysis of Ru3(CO)12 and 2-pyridinemethanol

Kim, Dong-Su,Park, Woo-Jin,Lee, Chang-Hee,Jun, Chul-Ho

, p. 12191 - 12196 (2015/01/09)

(Figure Presented) A chelation-assisted hydroesterification reaction of alkenes with sodium formate and alcohols that involves cooperative catalysis by Ru3(CO)12 and 2-pyridinemethanol is described. In this three-component coupling reaction, sodium formate serves as the carbon monoxide source.

NOVEL PROCESS

-

Page/Page column 4, (2009/12/27)

The present invention relates to a process for the preparation of 1-(2-ethyl-butyl)-cyclohexanecarboxylic acid which is useful as an intermediate in the preparation of pharmaceutically active compounds.

A Simple and Efficient Esterification Method

Ming-Yi, Chen,Lee, Adam Shih-Yuan

, p. 103 - 108 (2007/10/03)

A convenient and practical esterification was realized and this reaction proceeded without a dehydrating reagent or water removal equipment. The synthesis of esters by reaction of carboxylic acids with various alcohols such as methyl, ethyl, isopropyl, isobutyl, allyl, benzyl, propargyl and decanyl alcohols were achieved with a catalytic amount of CBr4 under refluxing reaction condition.

Esterification of sterically hindered acids and alcohols in fluorous media

Gacem, Badra,Jenner, Gérard

, p. 1391 - 1393 (2007/10/03)

Sterically hindered esterification reactions are best performed in specific fluorous media in the presence of catalytic amounts of diphenylammonium triflate. Fluorous media, in addition to their positive effect on yields, have inherent favorable properties respecting environment and permitting simple work-up. Highly congested reagents, however, react only marginally.

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