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BENZYL ETHYL ETHER is a colorless, oily liquid with an aromatic odor and a pleasant, fruity (pineapple) scent. It is volatile in steam, insoluble in water, and miscible with alcohol and ether. BENZYL ETHYL ETHER is combustible and has been reported to be found in cocoa, American cranberry, litchi (Litchi sinensis Sonn.), and eucalyptus oil.

539-30-0

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539-30-0 Usage

Uses

Used in Organic Synthesis:
BENZYL ETHYL ETHER is used as a reagent in the field of organic synthesis for its ability to facilitate various chemical reactions and improve the efficiency of the synthesis process.
Used in Flavoring Industry:
BENZYL ETHYL ETHER is used as a flavoring agent in the food and beverage industry, particularly for its pleasant, fruity (pineapple) odor, which adds a unique taste and aroma to various products.
Used in Fragrance Industry:
Due to its aromatic properties, BENZYL ETHYL ETHER is also utilized as a component in the fragrance industry to create and enhance the scent of various perfumes and other scented products.
Used in Pharmaceutical Industry:
BENZYL ETHYL ETHER can be employed as a solvent or intermediate in the pharmaceutical industry for the development and production of various drugs and medications.
Used in the Chemical Industry:
BENZYL ETHYL ETHER is used as a starting material or intermediate in the chemical industry for the production of other chemicals and compounds, taking advantage of its versatile chemical properties.

Preparation

From benzyl chloride and sodium ethylate in alcoholic solution.

Synthesis Reference(s)

The Journal of Organic Chemistry, 23, p. 1088, 1958 DOI: 10.1021/jo01101a029Tetrahedron Letters, 37, p. 5159, 1996 DOI: 10.1016/0040-4039(96)01046-5

Hazard

Narcotic in high concentration. May be skin irritant.

Purification Methods

Dry the ether with CaCl2 or NaOH, then fractionally distil it. [Letzinger & Pollart J Am Chem Soc 78 6079 1956, Beilstein 6 III 1454, 6 IV 2229.]

Check Digit Verification of cas no

The CAS Registry Mumber 539-30-0 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, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 539-30:
(5*5)+(4*3)+(3*9)+(2*3)+(1*0)=70
70 % 10 = 0
So 539-30-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

539-30-0SDS

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 (Ethoxymethyl)benzene

1.2 Other means of identification

Product number -
Other names BENZYL ETHYL ETHER

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
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:539-30-0 SDS

539-30-0Relevant academic research and scientific papers

Dual-mesoporous ZSM-5 zeolite with highly b-axis-oriented large mesopore channels for the production of benzoin ethyl ether

Zhou, Xiaoxia,Chen, Hangrong,Zhu, Yan,Song, Yudian,Chen, Yu,Wang, Yongxia,Gong, Yun,Zhang, Guobin,Shu, Zhu,Cui, Xiangzhi,Zhao, Jinjin,Shi, Jianlin

, p. 10017 - 10023 (2013)

Dual-mesoporous ZSM-5 zeolite with highly b axis oriented large mesopores was synthesized by using nonionic copolymer F127 and cationic surfactant CTAB as co-templates. The product contains two types of mesopores - smaller wormlike ones of 3.3 nm in size

Dehydrogenative ester synthesis from enol ethers and water with a ruthenium complex catalyzing two reactions in synergy

Ben-David, Yehoshoa,Diskin-Posner, Yael,Kar, Sayan,Luo, Jie,Milstein, David,Rauch, Michael

supporting information, p. 1481 - 1487 (2022/03/07)

We report the dehydrogenative synthesis of esters from enol ethers using water as the formal oxidant, catalyzed by a newly developed ruthenium acridine-based PNP(Ph)-type complex. Mechanistic experiments and density functional theory (DFT) studies suggest that an inner-sphere stepwise coupled reaction pathway is operational instead of a more intuitive outer-sphere tandem hydration-dehydrogenation pathway.

Comparing Separation vs. Fresh Start to Assess Reusability of Pd/C Catalyst in Liquid-Phase Hydrogenation

Mironenko, Roman M.,Saybulina, Elina R.,Trenikhin, Mikhail V.,Izmailov, Rinat R.,Lotsman, Kristina A.,Rodygin, Konstantin S.,Ananikov, Valentine P.

, p. 3656 - 3661 (2021/07/02)

The reusability of metal catalysts is a key issue for the potential application of new catalysts in research and industrial practice. The most common procedure for testing catalyst reusability in liquid-phase heterogeneous reactions is based on separating a catalyst from a reaction mixture followed by the next run. An alternative procedure called “fresh start” consists of the addition of a new portion of reagents to the reaction mixture without any isolation operation. In this work, we compare both procedures in a model Pd/C-catalyzed hydrogenation with different heteroatoms, e. g., O-, S-, and N-vinyl derivatives. It was shown that regardless of whether the catalyst is stable or potentially poisoned during the reaction, both procedures lead to comparable results. It appears that a much easier implementation of a fresh start procedure may be an option of choice. The possibilities of using both procedures to rationalize the experimental protocol for assessing Pd/C catalyst reusability in liquid-phase hydrogenations are discussed.

Synergistic catalysis of hybrid nano-structure Pd catalyst for highly efficient catalytic selective hydrogenation of benzaldehyde

Zhang, Yanji,Zhou, Jicheng,Li, Kai,Lv, Mengdie

, p. 129 - 137 (2020/01/28)

Selective hydrogenation of benzaldehyde is a green and sustainable technology to produce benzyl alcohol. Herein, we report a hybrid nano-structure catalyst(Pd/@-ZrO2/AC) by photochemical route for selective hydrogenation of benzaldehyde under m

Hydrosilylation of carbonyl and carboxyl groups catalysed by Mn(i) complexes bearing triazole ligands

Martínez-Ferraté, Oriol,Chatterjee, Basujit,Werlé, Christophe,Leitner, Walter

, p. 6370 - 6378 (2019/11/20)

Manganese(i) complexes bearing triazole ligands are reported as catalysts for the hydrosilylation of carbonyl and carboxyl compounds. The desired reaction proceeds readily at 80 °C within 3 hours at catalyst loadings as low as 0.25 to 1 mol%. Hence, good to excellent yields of alcohols could be obtained for a wide range of substrates including ketones, esters, and carboxylic acids illustrating the versatility of the metal/ligand combination.

Synthesis of Benzyl Alkyl Ethers by Intermolecular Dehydration of Benzyl Alcohol with Aliphatic Alcohols under the Effect of Copper Containing Catalysts

Bayguzina,Gimaletdinova,Khusnutdinov

, p. 1148 - 1155 (2018/10/24)

Synthesis of benzyl alkyl ethers was performed in high yields by intermolecular dehydration of benzyl and primary, secondary, tertiary alcohols under the effect of copper containing catalysts. The formation of benzyl alkyl ethers occurs with participation of benzyl cation.

Alcohol-based Michaelis-Arbuzov reaction: An efficient and environmentally-benign method for C-P(O) bond formation

Ma, Xiantao,Xu, Qing,Li, Huan,Su, Chenliang,Yu, Lei,Zhang, Xu,Cao, Hongen,Han, Li-Biao

supporting information, p. 3408 - 3413 (2018/08/06)

The famous Michaelis-Arbuzov reaction is extensively used both in the laboratory and industry to manufacture tons of widely-used organophosphoryl compounds every year. However, this method and the modified Michaelis-Arbuzov reactions developed recently still have some limitations. We now report a new alcohol-version of the Michaelis-Arbuzov reaction that can provide an efficient and environmentally-benign method to address the problems of the known Michaelis-Arbuzov reactions. That is, a wide range of alcohols can readily react with phosphites, phosphonites, and phosphinites to give all the three kinds of phosphoryl compounds (phosphonates, phosphinates, and phosphine oxides) using an n-Bu4NI-catalyzed efficient C-P(O) bond formation reaction. This general method can also be easily scaled up and used for further synthetic transformations in one pot.

A Versatile Iridium(III) Metallacycle Catalyst for the Effective Hydrosilylation of Carbonyl and Carboxylic Acid Derivatives

Corre, Yann,Rysak, Vincent,Trivelli, Xavier,Agbossou-Niedercorn, Francine,Michon, Christophe

supporting information, p. 4820 - 4826 (2017/09/07)

A versatile iridium(III) metallacycle catalysed rapidly and selectively the reduction of a large array of challenging esters and carboxylic acids as well as various ketones and aldehydes. The reactions proceeded in high yields at room temperature by hydrosilylation followed by desilylation. Although the reactions of various aldehydes and ketones resulted exclusively in alcohols, the hydrosilylation of esters led to alcohols or ethers, depending on the type of substrate. Regarding the carboxylic acids, again the nature of the reagent controlled the outcome of the hydrosilylation reaction, either alcohols or aldehydes being formed.

Singlet vs Triplet Reactivity of Photogenerated α,n-Didehydrotoluenes

Pedroli, Chiara,Ravelli, Davide,Protti, Stefano,Albini, Angelo,Fagnoni, Maurizio

supporting information, p. 6592 - 6603 (2017/07/15)

The reactivity of α,n-didehydrotoluenes (DHTs) in protic media (organic/aqueous mixtures) was explored by means of a combined computational and experimental approach. These intermediates were generated via a photoinduced double elimination process occurring in (chlorobenzyl)trimethylsilanes and led to the formation of a varied products distribution, depending on the isomer tested. Irradiation of ortho- and para-derivatives resulted, respectively, in the formation of triplet α,2- and α,4-DHTs, whose diradical reactivity led to both radical and polar products. On the other hand, irradiation of the meta-precursor led to the singlet α,3-DHT isomer. The latter showed a marked preference for the formation of polar products and this was rationalized, as supported by computational evidence, via the involvement of a zwitterionic species arising through interaction of the nucleophilic solvent with the benzylic position of the DHT.

Auto-Tandem Catalysis with Frustrated Lewis Pairs for Reductive Etherification of Aldehydes and Ketones

Bakos, Mária,Gy?m?re, ádám,Domján, Attila,Soós, Tibor

supporting information, p. 5217 - 5221 (2017/04/27)

Herein we report that a single frustrated Lewis pair (FLP) catalyst can promote the reductive etherification of aldehydes and ketones. The reaction does not require an exogenous acid catalyst, but the combined action of FLP on H2, R-OH or H2O generates the required Br?nsted acid in a reversible, “turn on” manner. The method is not only a complementary metal-free reductive etherification, but also a niche procedure for ethers that would be either synthetically inconvenient or even intractable to access by alternative synthetic protocols.

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