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1-(4-Methylphenyl)ethanol, also known as 4-methylbenzyl alcohol or p-methylbenzyl alcohol, is an organic compound that belongs to the aromatic alcohols family. It is characterized by the presence of a methyl group attached to a benzene ring and an alcohol functional group. 1-(4-Methylphenyl)ethanol has a molecular formula of C8H10O and a molecular weight of 122.17 g/mol. It is a colorless to pale yellow liquid with a pleasant, floral, and slightly woody odor.

536-50-5

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536-50-5 Usage

Uses

1-(4-Methylphenyl)ethanol is used as a flavoring agent in the food and beverage industry. It imparts a unique, pleasant taste and aroma to various food products, enhancing their overall flavor profile.
Used in the Flavor and Fragrance Industry:
1-(4-Methylphenyl)ethanol is used as a fragrance ingredient in the perfumery and cosmetics industry. Its floral and woody scent makes it a valuable component in creating various types of perfumes, colognes, and other scented products.
Used in the Essential Oil Industry:
1-(4-Methylphenyl)ethanol is a component of the essential oil extracted from some plants in the ginger family. It contributes to the characteristic aroma and therapeutic properties of these essential oils, which are used in aromatherapy and other applications.
Used in the Pharmaceutical Industry:
Although not explicitly mentioned in the provided materials, 1-(4-Methylphenyl)ethanol can also be used as an intermediate in the synthesis of various pharmaceutical compounds. Its aromatic structure and alcohol functional group make it a versatile building block for the development of new drugs and medications.

Preparation

From p-tolymagnesium bromide and acetaldehyde in ether; from 4-methylaceto-phenone with sodium metal in ethanol

Check Digit Verification of cas no

The CAS Registry Mumber 536-50-5 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 6 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 536-50:
(5*5)+(4*3)+(3*6)+(2*5)+(1*0)=65
65 % 10 = 5
So 536-50-5 is a valid CAS Registry Number.

536-50-5 Well-known Company Product Price

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  • Alfa Aesar

  • (B20832)  1-(4-Methylphenyl)ethanol, 97%   

  • 536-50-5

  • 1g

  • 320.0CNY

  • Detail
  • Alfa Aesar

  • (B20832)  1-(4-Methylphenyl)ethanol, 97%   

  • 536-50-5

  • 5g

  • 1279.0CNY

  • Detail
  • Alfa Aesar

  • (B20832)  1-(4-Methylphenyl)ethanol, 97%   

  • 536-50-5

  • 25g

  • 2983.0CNY

  • Detail

536-50-5SDS

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 1-(4-Methylphenyl)ethanol

1.2 Other means of identification

Product number -
Other names p-Tol-CH(CH3)OH

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:536-50-5 SDS

536-50-5Relevant academic research and scientific papers

Cinchona-Alkaloid-Derived NNP Ligand for Iridium-Catalyzed Asymmetric Hydrogenation of Ketones

Zhang, Lin,Zhang, Ling,Chen, Qian,Li, Linlin,Jiang, Jian,Sun, Hao,Zhao, Chong,Yang, Yuanyong,Li, Chun

supporting information, p. 415 - 419 (2022/01/12)

Most ligands applied for asymmetric hydrogenation are synthesized via multistep reactions with expensive chemical reagents. Herein, a series of novel and easily accessed cinchona-alkaloid-based NNP ligands have been developed in two steps. By combining [Ir(COD)Cl]2, 39 ketones including aromatic, heteroaryl, and alkyl ketones have been hydrogenated, all affording valuable chiral alcohols with 96.0-99.9% ee. A plausible reaction mechanism was discussed by NMR, HRMS, and DFT, and an activating model involving trihydride was verified.

2,2′-Bipyridine-α,α′-trifluoromethyl-diol ligand: Synthesis and application in the asymmetric Et2Zn alkylation of aldehydes

Lauzon, Samuel,Ollevier, Thierry

supporting information, p. 11025 - 11028 (2021/11/03)

A chiral 2,2′-bipyridine ligand (1) bearing α,α′-trifluoromethyl-alcohols at 6,6′-positions was designed in five steps affording either the R,R or S,S enantiomer with excellent stereoselectivities, i.e. 97% de, >99% ee and >99.5% de, >99.5% ee, respectively. The key step for reaching high levels of stereoselectivity was demonstrated to be the resolution of the α-CF3-alcohol using (S)-ibuprofen as the resolving agent. An initial application for the 2,2′-bipyridine-α,α′-CF3-diol ligand was highlighted in the ZnII-catalyzed asymmetric ethylation reaction of aromatic, heteroaromatic, and aliphatic aldehydes. Synergistic electron deficiency and steric hindrance properties of the newly developed ligand afforded the corresponding alcohols in good to excellent yields (up to 99%) and enantioselectivities (up to 95% ee). As observed from single crystal diffraction analysis, the complexation of the 2,2′-bipyridine-α,α′-CF3-diol ligand generates an unusual hexacoordinated ZnII.

Uranyl(VI) Triflate as Catalyst for the Meerwein-Ponndorf-Verley Reaction

Kobylarski, Marie,Monsigny, Louis,Thuéry, Pierre,Berthet, Jean-Claude,Cantat, Thibault

supporting information, p. 16140 - 16148 (2021/11/01)

Catalytic transformation of oxygenated compounds is challenging in f-element chemistry due to the high oxophilicity of the f-block metals. We report here the first Meerwein-Ponndorf-Verley (MPV) reduction of carbonyl substrates with uranium-based catalysts, in particular from a series of uranyl(VI) compounds where [UO2(OTf)2] (1) displays the greatest efficiency (OTf = trifluoromethanesulfonate). [UO2(OTf)2] reduces a series of aromatic and aliphatic aldehydes and ketones into their corresponding alcohols with moderate to excellent yields, using iPrOH as a solvent and a reductant. The reaction proceeds under mild conditions (80 °C) with an optimized catalytic charge of 2.3 mol % and KOiPr as a cocatalyst. The reduction of aldehydes (1-10 h) is faster than that of ketones (>15 h). NMR investigations clearly evidence the formation of hemiacetal intermediates with aldehydes, while they are not formed with ketones.

Pincerlike molybdenum complex and preparation method thereof, catalytic composition and application thereof, and alcohol preparation method

-

Paragraph 0125-0129, (2021/08/11)

The invention discloses a clamp-type molybdenum complex, a preparation method, a corresponding catalyst composition and application. The method comprises the steps: obtaining 9 molybdenum complexes with different structures through coordination reaction of 2-(substituent ethyl)-(5, 6, 7, 8-tetrahydroquinolyl) amine and a corresponding carbonyl molybdenum metal precursor; and catalyzing a ketone compound transfer hydrogenation reaction through a molybdenum complex to generate 40 alcohol compounds. The preparation method of the molybdenum complex is simple, high in yield and good in stability. For a transfer hydrogenation reaction of ketone, the molybdenum-based catalytic system has high catalytic activity and small molybdenum loading capacity, is used for production of aromatic and aliphatic alcohols, and has the advantages of simple method, small environmental pollution and high yield.

Polyoxometalate-Incorporated Framework as a Heterogeneous Catalyst for Selective Oxidation of C-H Bonds of Alkylbenzenes

Hu, Xin,Ma, Pengtao,Niu, Jingyang,Wang, Hui,Wang, Jingping,Wang, Quanzhong,Wang, Yingyue,Xu, Baijie

, p. 7753 - 7761 (2021/06/27)

Developing new catalysts for highly efficient and selective oxidation of saturated C-H bonds is significant due to their thermodynamic strength. Via incorporation of PW12O403-, pyridine-2,5-dicarboxylic acids (pydc), and Fe(III) ions into one framework, a new polyoxometalate-based metal-organic framework, [HFe4O2(H2O)4(pydc)3PW12O40]·10.5H2O (FeW-PYDC), was successfully prepared by a hydrothermal method. Interestingly, FeW-PYDC features a three-dimensional porous structure with {Fe4O2} interconnecting with PW12O403- units. FeW-PYDC displayed excellent performance in the selective oxidation of C-H bonds of alkylbenzenes with high conversion (95.7%) and selectivity (96.6%). As an effective heterogeneous catalyst, FeW-PYDC demonstrates good reusability and structural stability.

Dynamic Kinetic Resolution of Alcohols by Enantioselective Silylation Enabled by Two Orthogonal Transition-Metal Catalysts

Oestreich, Martin,Seliger, Jan

supporting information, p. 247 - 251 (2020/10/29)

A nonenzymatic dynamic kinetic resolution of acyclic and cyclic benzylic alcohols is reported. The approach merges rapid transition-metal-catalyzed alcohol racemization and enantioselective Cu-H-catalyzed dehydrogenative Si-O coupling of alcohols and hydrosilanes. The catalytic processes are orthogonal, and the racemization catalyst does not promote any background reactions such as the racemization of the silyl ether and its unselective formation. Often-used ruthenium half-sandwich complexes are not suitable but a bifunctional ruthenium pincer complex perfectly fulfills this purpose. By this, enantioselective silylation of racemic alcohol mixtures is achieved in high yields and with good levels of enantioselection.

Application of nitrogen-containing heterocyclic mercaptan cuprous compound in photocatalytic reaction of carbonyl compound

-

Paragraph 0013; 0027-0028, (2021/06/06)

The invention discloses an application of a nitrogen-containing heterocyclic mercaptan cuprous compound in a photocatalytic reaction of a carbonyl compound, relates to the technical field of application of photocatalysts; in particular, photocatalytic reduction reaction is carried out on the carbonyl compound by adopting the nitrogen-containing heterocyclic mercaptan cuprous compound as a photocatalyst to prepare an alcohol compound. The nitrogen-containing heterocyclic mercaptan cuprous compound is used as the photocatalyst for the photocatalytic reduction reaction of the carbonyl compound, visible light is successfully catalyzed to induce reduction of the carbonyl compound into the alcohol compound, the catalyst is low in price and good in catalytic effect, and the production cost can be reduced.

Synthesis of new rhodium(III) complex by benzylic C[sbnd]S bond cleavage of thioether containing NNS donor Schiff base ligand: Investigation of catalytic activity towards transfer hydrogenation of ketones

Biswas, Sujan,Das, Akash,Kumar Manna, Chandan,Kumar Mondal, Tapan,Naskar, Rahul

, (2020/11/04)

A new rhodium(III)-triphenylphosphine mixed ligand complex, [Rh(PPh3)(L)Cl2] (1) is synthesized by benzylic C[sbnd]S bond cleavage of L-CH2Ph ligand (where, L-CH2Ph = 2-(benzylthio)-N-(pyridin-2-ylmethylene)aniline). The complex is thoroughly characterized by several spectroscopic techniques. Geometry of the complex is confirmed by single crystal X-ray crystallography. Electronic structure, redox properties, absorption and emission properties of the complex were studied. DFT and TDDFT calculations were carried out to interpret the electronic structure and absorption properties of the complex respectively. The synthesized Rh(III) complex was tested as catalyst towards transfer hydrogenation reaction of ketones in iPrOH and an excellent catalytic conversion was observed under mild conditions.

Manganese-catalyzed homogeneous hydrogenation of ketones and conjugate reduction of α,β-unsaturated carboxylic acid derivatives: A chemoselective, robust, and phosphine-free in situ-protocol

Topf, Christoph,Vielhaber, Thomas

, (2021/07/10)

We communicate a user-friendly and glove-box-free catalytic protocol for the manganese-catalyzed hydrogenation of ketones and conjugated C[dbnd]C[sbnd]bonds of esters and nitriles. The respective catalyst is readily assembled in situ from the privileged [Mn(CO)5Br] precursor and cheap 2-picolylamine. The catalytic transformations were performed in the presence of t-BuOK whereby the corresponding hydrogenation products were obtained in good to excellent yields. The described system offers a brisk and atom-efficient access to both secondary alcohols and saturated esters avoiding the use of oxygen-sensitive and expensive phosphine-based ligands.

Manganese-Catalyzed Hydrogenation of Ketones under Mild and Base-free Conditions

Brünig, Julian,Kirchner, Karl,Veiros, Luis F.,Weber, Stefan

supporting information, p. 1388 - 1394 (2021/05/31)

In this paper, several Mn(I) complexes were applied as catalysts for the homogeneous hydrogenation of ketones. The most active precatalyst is the bench-stable alkyl bisphosphine Mn(I) complex fac-[Mn(dippe) (CO)3(CH2CH2CH3)]. The reaction proceeds at room temperature under base-free conditions with a catalyst loading of 3 mol % and a hydrogen pressure of 10 bar. A temperature-dependent selectivity for the reduction of α,β-unsaturated carbonyls was observed. At room temperature, the carbonyl group was selectively hydrogenated, while the C=C bond stayed intact. At 60 °C, fully saturated systems were obtained. A plausible mechanism based on DFT calculations which involves an inner-sphere hydride transfer is proposed.

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