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Benzeneacetic acid, 1-methylpropyl ester, also known as isobutyl phenylacetate, is an organic compound with the chemical formula C11H14O2. It is a colorless to pale yellow liquid with a fruity, apple-like odor. This ester is formed by the reaction of benzeneacetic acid and isobutanol, and it is widely used in the fragrance industry as a fixative and scent enhancer in various applications, including perfumes, soaps, and cosmetics. Additionally, it serves as a flavoring agent in food and beverages, imparting a sweet, fruity taste. The compound is generally considered safe for use in these applications, but like many chemicals, it should be handled with care to avoid potential health or environmental impacts.

5436-58-8

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5436-58-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5436-58-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,3 and 6 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5436-58:
(6*5)+(5*4)+(4*3)+(3*6)+(2*5)+(1*8)=98
98 % 10 = 8
So 5436-58-8 is a valid CAS Registry Number.

5436-58-8SDS

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 butan-2-yl 2-phenylacetate

1.2 Other means of identification

Product number -
Other names Sec-butyl phenylacetate

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:5436-58-8 SDS

5436-58-8Relevant academic research and scientific papers

[Co(MeTAA)] Metalloradical Catalytic Route to Ketenes via Carbonylation of Carbene Radicals

Chirila, Andrei,van Vliet, Kaj M.,Paul, Nanda D.,de Bruin, Bas

supporting information, p. 2251 - 2258 (2018/04/09)

An efficient synthetic strategy towards beta-lactams, amides, and esters involving “in situ” generation of ketenes and subsequent trapping with nucleophiles is presented. Carbonylation of carbene radical intermediates using the cheap and highly active cobalt(II) tetramethyltetraaza[14]annulene catalyst [Co(MeTAA)] provides a convenient one-pot synthetic protocol towards substituted ketenes. N-tosylhydrazones are used as carbene precursors, thereby bridging the gap between aldehydes and ketenes. Activation of these carbene precursors by the metalloradical cobalt(II) catalyst affords CoIII-carbene radicals, which subsequently react with carbon monoxide to form ketenes. In the presence of a nucleophile (imine, alcohol, or amine) in the reaction medium the ketene is immediately trapped, resulting in the desired products in a one-pot synthetic protocol. The β-lactams formed upon reaction with imines are produced in a highly trans-selective manner.

The effect of substituents and operating conditions on the electrochemical fluorination of alkyl phenylacetates in Et3N·4HF medium

Ilayaraja,Manivel,Velayutham,Noel

, p. 185 - 192 (2008/09/17)

Selective electrochemical fluorination of alkyl phenylacetates (Ph-CH2-COOR, where R is methyl, ethyl, n-propyl, n-butyl, i-propyl and sec-butyl) under galvanostatic conditions were reported in Et3N·4HF medium. Preparative electrolysis experiments were carried out both in pre-electrolysed dry Et3N·4HF and the same electrolyte medium without pre-electrolysis. Very little hydrolysed fluorinated products were obtained in pre-electrolysed medium where as significant quantities of hydrolysed products leading to fluorinated phenylacetic acid were obtained from Et3N·4HF without pre-electrolysis. Under optimum experimental conditions up to 87% selectivity of monofluoro ester could be achieved. Difluoro alkyl phenylacetate, monofluoro and difluoro phenylacetic acids were the other predominant side products obtained. The hydrolysis appears to be initiated by tautomeric transformation of proton after the initial electro oxidative formation of the cation radical. 19F as well as 1H NMR spectroscopy have been employed to identify the minor constituents formed during the electro oxidative process.

Oxidation of Alkynes by Hydrogen Peroxide Catalyzed by Methylrhenium Trioxide

Zhu, Zuolin,Espenson, James H.

, p. 7728 - 7732 (2007/10/03)

The oxidation of alkynes with hydrogen peroxide is catalyzed by methylrhenium tioxide.The reactions can be rationalized by postulating that an oxirene intermediate is formed between a rhenium peroxide and the alkyne.Internal alkynes yield α-diketones and carboxylic acids, the latter from the complete cleavage of the triple bonds.Rearrangement products were observed only for aliphatic alkynes.Terminal alkynes gave carboxylic acids and their derivatives and α-keto acids as the major products, but their yields varied with the solvent used.

IODIDE ION PROMOTION BENZYL CHLORIDE-BORATE ESTER CARBONYLANION REACTIONS

Alper, Howard,Hamel, Nathalie,Smith, David J. H.,Woell, James B.

, p. 2273 - 2274 (2007/10/02)

Esters are isolated in fine yields from the rhodium(I) catalyzed reaction of benzyl chlorides with borate esters and carbon monoxide, in the presence of potassium iodide.

RHODIUM(I) CATALYZED CARBONYLATION REACTIONS OF HALIDES AND ETHERS

Buchan, Caroline,Hamel, Nathalie,Woell, James B.,Alper, Howard

, p. 5743 - 5746 (2007/10/02)

Benzylic bromides and methyl ioide react with ethers, carbon monoxide, potassium iodide, and the dimer of chloro(1,5-hexadiene)rhodium(I) to give esters in good yields.

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