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Isobutyl carbonate, with the molecular formula C6H12O3, is a clear, colorless liquid characterized by a fruity odor. It is recognized for its low volatility and high boiling point, which contribute to its utility as a solvent in a variety of industries. Its relatively safe profile, marked by low toxicity and minimal environmental impact, further enhances its value in chemical applications.

539-92-4

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539-92-4 Usage

Uses

Used in Pharmaceutical Industry:
Isobutyl carbonate is used as a solvent for various pharmaceutical applications due to its ability to dissolve a wide range of substances, facilitating the manufacturing process of drugs and other health-related products.
Used in Agrochemical Industry:
In agrochemicals, isobutyl carbonate serves as a solvent, aiding in the formulation of pesticides and other agricultural chemicals, thus supporting effective and targeted delivery systems for crop protection.
Used in Personal Care Products:
Isobutyl carbonate is utilized as a solvent in the production of personal care products, such as cosmetics and toiletries, due to its capacity to dissolve active ingredients and enhance product performance without posing significant health or environmental risks.
Used as a Raw Material:
Isobutyl carbonate is used as a raw material for the synthesis of plasticizers, resins, and specialty chemicals, contributing to the development of a diverse array of chemical products that serve different industries.
Used in Chemical Processes:
Owing to its properties, isobutyl carbonate is employed in various chemical processes that require a solvent with medium to long drying times, making it a valuable component in the production of numerous chemical compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 539-92-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,3 and 9 respectively; the second part has 2 digits, 9 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 539-92:
(5*5)+(4*3)+(3*9)+(2*9)+(1*2)=84
84 % 10 = 4
So 539-92-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H18O3/c1-7(2)5-11-9(10)12-6-8(3)4/h7-8H,5-6H2,1-4H3

539-92-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name bis(2-methylpropyl) carbonate

1.2 Other means of identification

Product number -
Other names Carbonic acid, bis(2-methylpropyl) ester

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:539-92-4 SDS

539-92-4Relevant academic research and scientific papers

CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES

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Paragraph 00153, (2020/10/28)

There is provided a metal or metal-ion battery comprising an aluminum current collector and a low-corrosiveness non-aqueous electrolyte comprising, as a solvent, a carbonate compound of formula (I): (I). This battery has an upper voltage limit of about 4.2 V or more and anodic dissolution of aluminum during battery operation at said voltage is suppressed.

Ni-Catalyzed Reductive Arylacylation of Alkenes toward Carbonyl-Containing Oxindoles

Xu, Sheng,Wang, Kuai,Kong, Wangqing

supporting information, p. 7498 - 7503 (2019/10/02)

An easy-to-handle Ni-catalyzed three-component reductive arylacylation of alkenes using isobutyl chloroformate as a CO source was described. This reaction operates under mild reaction conditions without the need to use toxic CO gas or metal carbonyl reagents. In addition, this method allows for rapid synthesis of 3,3-disubstituted oxindoles with an all-carbon quaternary stereocenter containing a ketone group in good yields with broad substrate scope.

A method for obtaining and alkylene glycol dialkyl carbonate

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Paragraph 0084-0093, (2016/12/26)

The invention relates to a method for obtaining a dialkyl carbonate and an alkylene glycol from a material flow containing dialkyl carbonate, alkylene carbonate, alkylene glycol, and alcohol, said method having the following steps: (a) separating a material flow (5) containing dialkyl carbonate and alkylene glycol in the form of a heteroazeotrope from the material flow containing dialkyl carbonate, alkylene carbonate, alkylene glycol, and alcohol in a distillative manner in a first distillation stage (1), and (b) separating the material flow (5) containing dialkyl carbonate and alkylene glycol in the form of a heteroazeotrope into a first raw product flow (27) which substantially contains dialkyl carbonate and a second raw product flow (29) which substantially contains alkylene glycol in a device for the purpose of a phase separation (25).

Organic carbonate synthesis from CO2 and alcohol over CeO 2 with 2-cyanopyridine: Scope and mechanistic studies

Honda, Masayoshi,Tamura, Masazumi,Nakagawa, Yoshinao,Nakao, Kenji,Suzuki, Kimihito,Tomishige, Keiichi

, p. 95 - 107 (2014/09/17)

The combination system of CeO2-catalyzed carboxylation and 2-cyanopyridine hydration (CeO2 + 2-cyanopyridine system) is effective for the direct synthesis of organic carbonates from CO2 and alcohols. This catalyst system can be applied to various alcohols to afford the corresponding carbonates in high alcohol-based yields. The hydration of 2-cyanopyridine over CeO2 rapidly proceeds under the low concentration of water, which can remove the water from the reaction media. Since the reaction is limited by the chemical equilibrium, the removal of water remarkably shifts the chemical equilibrium to the carbonate side, leading to high carbonate yields. In addition, 2-picolinamide that is produced by hydration of 2-cyanopyridine forms an intramolecular hydrogen bonding between H atom of the amide group and N atom of the pyridine ring, which weakens the adsorption of 2-picolinamide on CeO2 by reduction of the acidity. The reaction mechanism of DMC formation in CeO2 + 2-cyanopyridine system is also proposed.

Halogenated volatiles from the fungus Geniculosporium and the actinomycete Streptomyces chartreusis

Wang, Tao,Rabe, Patrick,Citron, Christian A.,Dickschat, Jeroen S.

supporting information, p. 2767 - 2777 (2014/01/06)

Two unidentified chlorinated volatiles X and Y were detected in headspace extracts of the fungus Geniculosporium. Their mass spectra pointed to the structures of a chlorodimethoxybenzene for X and a dichlorodimethoxybenzene for Y. The mass spectra of some constitutional isomers for X and Y were included in our databases and proved to be very similar, thus preventing a full structural assignment. For unambiguous structure elucidation all possible constitutional isomers for X and Y were obtained by synthesis or from commercial suppliers. Comparison of mass spectra and GC retention times rigorously established the structures of the two chlorinated volatiles. Chlorinated volatiles are not very widespread, but brominated or even iodinated volatiles are even more rare. Surprisingly, headspace extracts from Streptomyces chartreusis contained methyl 2-iodobenzoate, a new natural product that adds to the small family of iodinated natural products.

Environment-friendly liquid fuel and production process thereof

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Paragraph 0101, (2013/12/03)

The present invention discloses a liquid fuel and production process thereof. The liquid fuel comprises dialkyl carbonates with the structural formula of wherein R and R' are same or different, and R and R' are selected from the group consisting of C1-C8 linear chain alkyl, C3-C8 branched chain alkyl, C3-C8 naphthene base and alkyl containing furan ring. The process of the production of the liquid fuel comprises the steps of: performing a cycloaddition reaction between 2-methyl tetrahydrofuran and carbon dioxide to produce a cyclic carbonate, then performing an ester exchange reaction between the cyclic carbonate and monohydric alcohol to produce the dialkyl carbonate. The liquid fuel produced by the present invention is clean, safe and biodegradable; it is compatible with advantages of conventional fossil-based liquid fuels and biological liquid fuels and has a wide range of applications. The process provides a new way for industrial production of the dialkyl carbonate and efficient and comprehensive utilization of biomass resources.

PROCESS FOR COPRODUCING DI- AND/OR POLYISOCYANATES AND GLYCOLS

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Page/Page column 3, (2012/08/28)

A process for coproducing di- and/or polyisocyanates and glycols, comprising process stages A, B, C and E for preparing glycols and process stages A, C, D, E, F and G for preparing di- and/or polyisocyanates, which comprises accomplishing the material coupling via the separation of the reaction mixture obtained in process stage A into process stages B and C, by in process stage A, reacting an aqueous alkylene oxide with carbon dioxide to give a reaction mixture comprising alkylene carbonate,hydrolyzing a portion of the alkylene carbonate-comprising reaction mixture obtained in process stage A to glycol in process stage B,dewatering the remaining alkylene carbonate-comprising stream of the reaction mixture from process stage A in process stage C,in process stage D, synthesizing amine by hydrogenating an aromatic nitro compound or a nitrile,in process stage E, transesterifying the dewatered alkylene carbonate-comprising mixture from process stage C with a monohydroxy alcohol to give the corresponding dialkyl carbonate, obtaining glycol as a coproduct,in process stage F, reacting the dialkyl carbonate-comprising reaction mixture obtained in process stage E with the amine obtained in process stage D to a mixture comprising the corresponding mono-, di- and/or polycarbamate, whichin process stage G is cleaved to obtain the corresponding di- and/or polyisocyanate.

PROCESS FOR PRODUCTION OF ALKYLTIN ALKOXIDES

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Page/Page column 31, (2008/06/13)

A process for the production of alkyltin alkoxides which comprises subjecting at least one alkyltin compound selected from among organotin compounds having tin-oxygen-tin linkages as the starting compound and a hydroxyl compound as the reactant to dehydration to obtain an alkyltin alkoxide corresponding to the starting compound and the reactant, characterized by continuously feeding the starting compound and the reactant into a reactor, discharging a water-containing low boiling point component from the reactor, and continuously withdrawing a reaction fluid containing an alkyltin alkoxide as the bottom from the reactor.

METHOD FOR PRODUCING AROMATIC CARBONATE

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Page/Page column 64-65; 115, (2010/11/08)

A method for producing an aromatic carbonate, comprising: (1) performing a reaction between an organometal compound and carbon dioxide to obtain a reaction mixture containing a dialkyl carbonate formed by the reaction,(2) separating the dialkyl carbonate from the reaction mixture to obtain a residual liquid,(3) reacting the residual liquid with an alcohol to form at least one organometal compound and form water and removing the water from the organometal compound, and(4) reacting the dialkyl carbonate separated in step (2) with an aromatic hydroxy compound to obtain an aromatic carbonate.

Facile Synthesis of Carbonates from Alcohols and Carbon Monoxide Promoted by Elemental Sulfur

Mizuno, Takumi,Nakamura, Fumikazu,Egashira, Yoshitaka,Nishiguchi, Ikuzo,Hirashima, Tsuneaki,et al.

, p. 636 - 638 (2007/10/02)

Carbonates 3 were readily synthesized by carbonylation of alcohols with carbon monoxide and elemental sulfur in the presence of a base followed by in situ treatment of the resulting salts with copper(II) chloride.

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