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2-methylbutan-2-yl benzoate is an organic compound with the chemical formula C12H16O2. It is a derivative of benzoic acid, where the hydrogen atom of the carboxylic acid group is replaced by a 2-methylbutan-2-yl group. 2-methylbutan-2-yl benzoate is characterized by its ester functional group, which is formed by the combination of a carboxylic acid and an alcohol. 2-methylbutan-2-yl benzoate is a colorless liquid with a fruity, floral odor and is used in the fragrance industry as a fixative and scent enhancer. It is also found in various natural sources, such as fruits and essential oils, and is known for its ability to stabilize and prolong the aroma of other fragrance components.

6963-55-9

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6963-55-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6963-55-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,6 and 3 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6963-55:
(6*6)+(5*9)+(4*6)+(3*3)+(2*5)+(1*5)=129
129 % 10 = 9
So 6963-55-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H16O2/c1-4-12(2,3)14-11(13)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3

6963-55-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methylbutan-2-yl benzoate

1.2 Other means of identification

Product number -
Other names 2-Butanol,2-methyl-,2-benzoate

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 -
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More Details:6963-55-9 SDS

6963-55-9Relevant academic research and scientific papers

Silver/manganese dioxide nanorod catalyzed hydrogen-borrowing reactions and tert-butyl ester synthesis

Luo, Huanhuan,Wang, Dawei,Xu, Zhaojun,Yang, Bobin,Yang, Yike

, p. 708 - 715 (2021/03/03)

Silver/manganese dioxide (Ag@MnO2) nanorods are synthesized and characterized by scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, X-ray powder diffraction, and X-ray photoelectron spectroscopy. It was discovered that Ag@MnO2 nanorods can realize hydrogen-borrowing reactions in high yields and are also effective for the synthesis of tert-butyl esters from aryl cyanides and tert-butyl hydroperoxide in a short period of time. Mechanistic experiments revealed that this catalytic system acts as a Lewis acid in hydrogen-borrowing reactions, while the synthesis of tert-butyl esters occurs through a radical pathway. This is the first report on the excellent catalytic activity of Ag@MnO2 nanorods as a catalyst.

A Zirconium Indazole Carboxylate Coordination Polymer as an Efficient Catalyst for Dehydrogenation-Cyclization and Oxidative Coupling Reactions

Sang, Xinxin,Hu, Xinyu,Tao, Rong,Zhang, Yilin,Zhu, Haiyan,Wang, Dawei

, p. 123 - 129 (2020/02/21)

Rational ligand design is crucial for achieving widespread applications of coordination polymers. The preparation, structural characterisation, and catalytic applications of zirconium (IV) coordination polymer (Zr-IDA), which was derived from 1-(carboxymethyl)-1H-indazole-5-carboxylic acid are reported. The Zr-IDA catalyst contains porous and highly crystalline particles with a quasi-spherical morphology around 100 nm in size, and Zr was coordinated with both O and N as shown by FT-IR and XPS measurements. Importantly, the Zr-IDA catalyst shows great activity, selectivity and stability in the oxidative coupling of benzyl cyanides with tert-butyl hydroperoxide to afford tert-butyl peresters, and the dehydrogenation cyclization of o-phenylenediamines with aromatic alcohols to afford 1,2-disubstituted benzimidazole derivatives. Mechanistic investigations were carried out to study these reactions and the developed catalytic system in more detail.

Highly Active Manganese-Mediated Acylation of Alcohols with Acid Chlorides or Anhydrides

Joo, Seong-Ryu,Youn, Young-Jin,Hwang, Young-Ran,Kim, Seung-Hoi

, p. 2665 - 2669 (2017/10/07)

To explore further the practical uses of highly active manganese (Mn?), a variety of alcohols were treated with Mn?, and the resulting complexes were coupled with acid chlorides and/or acetic anhydride in the absence of any extra catalyst. The subsequent reactions took place smoothly under mild conditions, providing the corresponding O-acylation products in good to excellent isolated yields.

The application of N,N′dibromo-N,N′-1,2-ethanediyl bis(P-toluenesulfonamide) as a powerful reagent for conversion of carboxylic acids into esters and amides with triphenylphosphine

Khazaei, Ardeshir,Mallakpour, Shadpour,Zolfigol, Mohammad Ali,Ghorbani-Vaghei, Ramin,Kolvari, Eskandar

, p. 1715 - 1721 (2007/10/03)

In the presence of equivalent amounts of triphenylphenylphosphine and N,N′-dibromo-N,N′-1,2-ethanediylbis(p-toluenesulphonamide) ester and amide compounds can be generated in high yields from the corresponding carboxylic acid and alcohols or amines.

Convenient preparations of t-butyl esters and ethers from t-butanol

Wright, Stephen W.,Hageman, David L.,Wright, Ann S.,McClure, Lester D.

, p. 7345 - 7348 (2007/10/03)

A one-pot preparation of t-butyl esters and ethers is described that proceeds from the carboxylic acid or alcohol and t-butanol using only anhydrous magnesium sulfate and catalytic sulfuric acid as additional reagents. The method affords t-butyl esters and ethers in good yields and is applicable to a variety of substrates.

ANOMALOUS ORIENTATION EFFECTS DURING BENZOYLOXYLATIONS BY "SILVER BROMIDE DIBENZOATE"

Bryce-Smith, Derek,Isaacs, Neil S.,Tumi, Seddeg O.

, p. 1471 - 1472 (2007/10/02)

The solid complex formed from bromine and silver benzoate reacts with both arenes and alkenes to form aryl and alkyl benzoates, respectively.Highly unusual substituent effects are observed in the benzoyloxylations of arenes.Electron-withdrawing groups (e.g. -NO2, -CN,-CO-) on the aromatic ring facilitate reaction though directing the attacking reagent exclusively to the meta position.In alkanes, tertiary positions are most prone to attack.

ACTIVATION OF REDUCING AGENTS. SODIUM HYDRIDE CONTAINING COMPLEX REDUCING AGENTS. XIV. NaCoCO4 AS AN SRN1 NUCLEOPHILE IN THE CARBONYLATION OF ARYL HALIDES BY CoCRACO AT ATMOSPHERIC PRESSURE. NEW PREPARATION OF NaCoCO4 BY NaH REDUCTION OF DICOBALT OCTACARBONYL

Brunet, Jean-Jacques,Sidot, Christian,Caubere, Paul

, p. 229 - 241 (2007/10/02)

The only detectable cobalt carbonyl species present in CoCRACO (NaH/t-AmONa/Co(OAc)2/CO) (t-Am = tert-amyl) is NaCoCO4.The simultaneous presence of NaH, t-AmONa, NaCoCO4 and some soluble, non-carbonyl, cobalt species allows highly catalytic carbonylation of C6H5Br under very mild conditions, while NaCoCO4 alone can carbonylate C6H5Br under irradiation (350 nm).In the presence of t-AmONa, the reaction is highly catalytic with respect to cobalt.These results strongly suggest a SRN1 mechanism.It is suggested that catalytic carbonylations with CoCRACO take place by a SRN1, electron-initiated, reaction.A new, very convenient method of preparation of NaCoCO4 by quantitative reduction of Co2CO8 with NaH is also described.

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