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4-Methylbenzyl alcohol, also known as p-methylbenzyl alcohol or 4-methylbenzyl alcohol, is an organic compound with the chemical formula C8H9O. It is a colorless liquid with a strong, floral odor and is soluble in water. It is commonly used as a fragrance ingredient and as a precursor in the synthesis of various chemicals.

589-18-4

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589-18-4 Usage

Uses

Used in Perfumery:
4-Methylbenzyl alcohol is used as a fragrance ingredient in perfumes and colognes due to its strong, floral scent. It is often used in combination with other fragrance ingredients to create complex and long-lasting scents.
Used in Flavoring:
4-Methylbenzyl alcohol is used as a flavoring agent in food and beverages, particularly in products with a floral or fruity taste. It is used to enhance the flavor profile and provide a pleasant aroma.
Used as a Laboratory Reagent:
4-Methylbenzyl alcohol is used as a laboratory reagent in various chemical reactions and processes. It is used as a solvent, a reducing agent, and a starting material for the synthesis of other organic compounds.
Used in the Preparation of Polycarbonates:
4-Methylbenzyl alcohol is used as a raw material in the production of polycarbonates, which are high-performance polymers with a wide range of applications, including automotive parts, electronic devices, and construction materials.
Used in the Preparation of 4-Methylbenzaldehyde:
4-Methylbenzyl alcohol is also used as a raw material in the synthesis of 4-methylbenzaldehyde, which is an important intermediate in the production of various pharmaceuticals, agrochemicals, and fragrances.

Production Methods

p-Tolyl alcohol is commercially prepared by reducing p-tolyl aldehyde. It is used mainly in fragrances, and the major route of exposure is likely to be dermal contact.

Synthesis Reference(s)

The Journal of Organic Chemistry, 52, p. 946, 1987 DOI: 10.1021/jo00381a047

Air & Water Reactions

Slightly soluble in water.

Reactivity Profile

4-Methylbenzyl alcohol can react with acids, acid chlorides, acid anhydrides and oxidizing agents.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition 4-Methylbenzyl alcohol emits acrid smoke and toxic fumes of carbon monoxide and carbon dioxide.

Fire Hazard

Flash point data for 4-Methylbenzyl alcohol are not available. 4-Methylbenzyl alcohol is probably combustible.

Flammability and Explosibility

Notclassified

Purification Methods

Crystallise the alcohol from pet ether (b 80-100o, 1g/mL), Et2O, pentane or H2O (m 61-62.1o). It can also be distilled in a vacuum. [Beilstein 6 H 498, 6 I 248, 6 II 469, 6 III 1779.]

Check Digit Verification of cas no

The CAS Registry Mumber 589-18-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,8 and 9 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 589-18:
(5*5)+(4*8)+(3*9)+(2*1)+(1*8)=94
94 % 10 = 4
So 589-18-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3

589-18-4 Well-known Company Product Price

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  • Alfa Aesar

  • (A15315)  4-Methylbenzyl alcohol, 99%   

  • 589-18-4

  • 25g

  • 340.0CNY

  • Detail
  • Alfa Aesar

  • (A15315)  4-Methylbenzyl alcohol, 99%   

  • 589-18-4

  • 100g

  • 1018.0CNY

  • Detail
  • Alfa Aesar

  • (A15315)  4-Methylbenzyl alcohol, 99%   

  • 589-18-4

  • 500g

  • 4060.0CNY

  • Detail

589-18-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methylbenzyl alcohol

1.2 Other means of identification

Product number -
Other names p-methyl-benzyl alcohol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Flavouring Agent: FLAVOURING_AGENT
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:589-18-4 SDS

589-18-4Relevant academic research and scientific papers

Aerobic oxidation of alcohols in visible light on Pd-grafted Ti cluster

Verma, Sanny,Nasir Baig,Nadagouda, Mallikarjuna N.,Varma, Rajender S.

, p. 5577 - 5580 (2017)

The titanium cluster with the reduced band gap has been synthesized having the palladium nanoparticles over the surface, which not only binds to the atmospheric oxygen but also catalyzes the oxidation of alcohols under visible light.

An efficient method for the cleavage of tert-butyldiphenylsilyl ethers catalyzed by 1,3-dibromo-5,5-dimethylhydantoin

Han, Zong

, p. 51 - 62 (2022/02/14)

An efficient method for the deprotection of tert-butyldiphenylsilyl (TBDPS) ethers using 1,3-dibromo-5,5-dimethylhydantoin (DBH) as catalyst and dimethyl sulfoxide (DMSO) as solvent has been established. This method is useful for many kinds of compounds,

Efficient Solvent-Free Hydrosilylation of Aldehydes and Ketones Catalyzed by Fe2(CO)9/C6H4-o-(NCH2PPh2)2BH

Fang, Fei,Chang, Jiarui,Zhang, Jie,Chen, Xuenian

, p. 3509 - 3515 (2021/03/16)

An efficient solvent-free catalyst system for hydrosilylation of aldehydes and ketones was developed based on iron pre-catalyst Fe2(CO)9/C6H4-o-(NCH2PPh2)2BH. The reactions were tolerant of many functional groups and the corresponding alcohols were isolated in good to excellent yields following basic hydrolysis of the reaction products. The reaction is likely catalyzed by an in situ generated pincer ligated iron hydride complex. Graphic Abstract: [Figure not available: see fulltext.]

Hydroboration Reaction and Mechanism of Carboxylic Acids using NaNH2(BH3)2, a Hydroboration Reagent with Reducing Capability between NaBH4and LiAlH4

Wang, Jin,Ju, Ming-Yue,Wang, Xinghua,Ma, Yan-Na,Wei, Donghui,Chen, Xuenian

, p. 5305 - 5316 (2021/04/12)

Hydroboration reactions of carboxylic acids using sodium aminodiboranate (NaNH2[BH3]2, NaADBH) to form primary alcohols were systematically investigated, and the reduction mechanism was elucidated experimentally and computationally. The transfer of hydride ions from B atoms to C atoms, the key step in the mechanism, was theoretically illustrated and supported by experimental results. The intermediates of NH2B2H5, PhCH= CHCOOBH2NH2BH3-, PhCH= CHCH2OBO, and the byproducts of BH4-, NH2BH2, and NH2BH3- were identified and characterized by 11B and 1H NMR. The reducing capacity of NaADBH was found between that of NaBH4 and LiAlH4. We have thus found that NaADBH is a promising reducing agent for hydroboration because of its stability and easy handling. These reactions exhibit excellent yields and good selectivity, therefore providing alternative synthetic approaches for the conversion of carboxylic acids to primary alcohols with a wide range of functional group tolerance.

The Stereoselective Oxidation of para-Substituted Benzenes by a Cytochrome P450 Biocatalyst

Chao, Rebecca R.,Lau, Ian C.-K.,Coleman, Tom,Churchman, Luke R.,Child, Stella A.,Lee, Joel H. Z.,Bruning, John B.,De Voss, James J.,Bell, Stephen G.

supporting information, p. 14765 - 14777 (2021/09/14)

The serine 244 to aspartate (S244D) variant of the cytochrome P450 enzyme CYP199A4 was used to expand its substrate range beyond benzoic acids. Substrates, in which the carboxylate group of the benzoic acid moiety is replaced were oxidised with high activity by the S244D mutant (product formation rates >60 nmol.(nmol-CYP)?1.min?1) and with total turnover numbers of up to 20,000. Ethyl α-hydroxylation was more rapid than methyl oxidation, styrene epoxidation and S-oxidation. The S244D mutant catalysed the ethyl hydroxylation, epoxidation and sulfoxidation reactions with an excess of one stereoisomer (in some instances up to >98 %). The crystal structure of 4-methoxybenzoic acid-bound CYP199A4 S244D showed that the active site architecture and the substrate orientation were similar to that of the WT enzyme. Overall, this work demonstrates that CYP199A4 can catalyse the stereoselective hydroxylation, epoxidation or sulfoxidation of substituted benzene substrates under mild conditions resulting in more sustainable transformations using this heme monooxygenase enzyme.

A Bifunctional Copper Catalyst Enables Ester Reduction with H2: Expanding the Reactivity Space of Nucleophilic Copper Hydrides

Kaicharla, Trinadh,Ngoc, Trung Tran,Teichert, Johannes F.,Tzaras, Dimitrios-Ioannis,Zimmermann, Birte M.

supporting information, p. 16865 - 16873 (2021/10/20)

Employing a bifunctional catalyst based on a copper(I)/NHC complex and a guanidine organocatalyst, catalytic ester reductions to alcohols with H2 as terminal reducing agent are facilitated. The approach taken here enables the simultaneous activation of esters through hydrogen bonding and formation of nucleophilic copper(I) hydrides from H2, resulting in a catalytic hydride transfer to esters. The reduction step is further facilitated by a proton shuttle mediated by the guanidinium subunit. This bifunctional approach to ester reductions for the first time shifts the reactivity of generally considered "soft"copper(I) hydrides to previously unreactive "hard"ester electrophiles and paves the way for a replacement of stoichiometric reducing agents by a catalyst and H2.

Direct use of the solid waste from oxytetracycline fermentation broth to construct Hf-containing catalysts for Meerwein-Ponndorf-Verley reactions

Chen, Yuxin,Yao, Xuefeng,Wang, Xiaolu,Zhang, Xuefeng,Zhou, Huacong,He, Runxia,Liu, Quansheng

, p. 13970 - 13979 (2021/04/22)

The oxytetracycline fermentation broth residue (OFR) is an abundant solid waste in the fermentation industry, which is hazardous but tricky to treat. The resource utilization of the waste OFR is still challenging. In this study, a novel route of using OFR was proposed that OFR was used as the organic ligands to construct a new hafnium based catalyst (Hf-OFR) for Meerwein-Ponndorf-Verley (MPV) reactions of biomass-derived platforms. The acidic groups in OFR were used to coordinate with Hf4+, and the carbon skeleton structures in OFR were used to form the spatial network structures of the Hf-OFR catalyst. The results showed that the synthesized Hf-OFR catalyst could catalyze the MPV reduction of various carbonyl compounds under relatively mild reaction conditions, with high conversions and yields. Besides, the Hf-OFR catalyst could be recycled at least 5 times with excellent stability in activity and structures. The prepared Hf-OFR catalyst possesses the advantages of high efficiency, a simple preparation process, and low cost in ligands. The proposed strategy of constructing catalysts using OFR may provide new routes for both valuable utilization of the OFR solid waste in the fermentation industry and the construction of efficient catalysts for biomass conversion.

Iron-catalyzed chemoselective hydride transfer reactions

Coufourier, Sébastien,Ndiaye, Daouda,Gaillard, Quentin Gaignard,Bettoni, Léo,Joly, Nicolas,Mbaye, Mbaye Diagne,Poater, Albert,Gaillard, Sylvain,Renaud, Jean-Luc

supporting information, (2021/06/07)

A Diaminocyclopentadienone iron tricarbonyl complex has been applied in chemoselective hydrogen transfer reductions. This bifunctional iron complex demonstrated a broad applicability in mild conditions in various reactions, such as reduction of aldehydes over ketones, reductive alkylation of various functionalized amines with functionalized aldehydes and reduction of α,β-unsaturated ketones into the corresponding saturated ketones. A broad range of functionalized substrates has been isolated in excellent yields with this practical procedure.

Ambient-pressure highly active hydrogenation of ketones and aldehydes catalyzed by a metal-ligand bifunctional iridium catalyst under base-free conditions in water

Wang, Rongzhou,Yue, Yuancheng,Qi, Jipeng,Liu, Shiyuan,Song, Ao,Zhuo, Shuping,Xing, Ling-Bao

, p. 1 - 7 (2021/05/17)

A green, efficient, and high active catalytic system for the hydrogenation of ketones and aldehydes to produce corresponding alcohols under atmospheric-pressure H2 gas and ambient temperature conditions was developed by a water-soluble metal–ligand bifunctional catalyst [Cp*Ir(2,2′-bpyO)(OH)][Na] in water without addition of a base. The catalyst exhibited high activity for the hydrogenation of ketones and aldehydes. Furthermore, it was worth noting that many readily reducible or labile functional groups in the same molecule, such as cyan, nitro, and ester groups, remained unchanged. Interestingly, the unsaturated aldehydes can be also selectively hydrogenated to give corresponding unsaturated alcohols with remaining C=C bond in good yields. In addition, this reaction could be extended to gram levels and has a large potential of wide application in future industrial.

Application of bis(phosphinite) pincer nickel complexes to the catalytic hydrosilylation of aldehydes

Chang, Jiarui,Fang, Fei,Tu, Chenhao,Zhang, Jie,Ma, Nana,Chen, Xuenian

, (2020/10/27)

A series of bis(phosphinite) (POCOP) pincer ligated nickel complexes, [2,6-(tBu2PO)2C6H3]NiX (X = SH, 1; SCH2Ph, 2; SPh, 3; NCS, 4; N3, 5), were used to catalyse the hydrosilylation of aldehydes. It was found that both complexes 1 and 2 are active in catalysing the hydrosilylation of aldehydes with phenylsilane and complex 1 is comparatively more active. The expected alcohols were isolated in good to excellent yields after basic hydrolysis of the resultant hydrosilylation products. However, no reaction was observed when complex 3 or 4 or 5 was used as the catalyst. The results are consistent with complexes 1 and 2 serving as catalyst precursors, which generate the corresponding nickel hydride complex [2,6-(tBu2PO)2C6H3]NiH in situ, and the nickel hydride complex is the active species that catalyses this hydrosilylation process. The in situ generation of the nickel hydride species was supported by both experimental results and DFT calculation.

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