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89-95-2

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89-95-2 Usage

Description

2-Methylbenzyl alcohol, also known as o-Cresol methyl ether, is an organic compound with the chemical formula C8H10O. It is a colorless liquid with a distinctive aromatic odor. The molecule consists of a benzene ring with a methyl group attached to the second carbon and a benzyl alcohol group attached to the first carbon. It is soluble in water and various organic solvents.

Uses

Used in Pharmaceutical Industry:
2-Methylbenzyl alcohol is used as a starting material for the synthesis of various pharmaceutical compounds, including antibiotics, anti-inflammatory drugs, and analgesics. Its unique chemical structure allows for the formation of a wide range of derivatives with potential therapeutic applications.
Used in Flavor and Fragrance Industry:
2-Methylbenzyl alcohol is used as a fragrance ingredient in the production of perfumes, colognes, and other scented products. Its pleasant aroma and stability make it a popular choice for creating various scent profiles.
Used in Chemical Synthesis:
2-Methylbenzyl alcohol is used as an intermediate in the synthesis of various organic compounds, such as dyes, plastics, and resins. Its versatility as a building block allows for the creation of a diverse range of products.
Used in High-Performance Liquid Chromatography (HPLC):
2-Methylbenzyl alcohol is widely used as a strong mobile phase additive in HPLC. It helps to improve the separation and resolution of complex mixtures, making it an essential component in analytical chemistry.
Used in the Production of 2-Methylbenzaldehyde:
2-Methylbenzyl alcohol can be converted to 2-methyl-benzaldehyde at a temperature of 20°C using the reagent pyridinium chlorochromate with a reaction time of 10 minutes. This conversion is useful for the production of various chemical intermediates and specialty chemicals.

Synthesis Reference(s)

Chemistry Letters, 22, p. 1495, 1993Journal of the American Chemical Society, 62, p. 2639, 1940 DOI: 10.1021/ja01867a017Organic Syntheses, Coll. Vol. 4, p. 582, 1963

Check Digit Verification of cas no

The CAS Registry Mumber 89-95-2 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 8 and 9 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 89-95:
(4*8)+(3*9)+(2*9)+(1*5)=82
82 % 10 = 2
So 89-95-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3

89-95-2 Well-known Company Product Price

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  • Alfa Aesar

  • (A12696)  2-Methylbenzyl alcohol, 98%   

  • 89-95-2

  • 10g

  • 212.0CNY

  • Detail
  • Alfa Aesar

  • (A12696)  2-Methylbenzyl alcohol, 98%   

  • 89-95-2

  • 50g

  • 725.0CNY

  • Detail
  • Alfa Aesar

  • (A12696)  2-Methylbenzyl alcohol, 98%   

  • 89-95-2

  • 250g

  • 2908.0CNY

  • Detail

89-95-2SDS

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 2-Methylbenzyl Alcohol

1.2 Other means of identification

Product number -
Other names (2-methylphenyl)methanol

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:89-95-2 SDS

89-95-2Relevant articles and documents

Experimental and theoretical study of the effect of active-site constrained substrate motion on the magnitude of the observed intramolecular isotope effect for the P450 101 catalyzed benzylic hydroxylation of isomeric xylenes and 4,4'-dimethylbiphenyl

Audergon, Christian,Iyer, Krishna R.,Jones, Jeffrey P.,Darbyshire, John F.,Trager, William F.

, p. 41 - 47 (1999)

The validity of a cytochrome P450 (P450) 101 force field developed previously was tested by comparing to published results from other laboratories the predicted regioselectivity and stereoselectivity of both (R)- and (S)-norcamphor oxidation when the force field was used. Once validated, the force field was used to test the hypothesis that the magnitude of an observed intramolecular isotope effect is a function of the distance between equivalent but isotopically distinct intramolecular sites of oxidative attack. Molecular dynamics simulations and kinetic deuterium isotope effect experiments on benzylic hydroxylation were then conducted for a series of selectively deuterated isomeric xylenes and 4,4'-dimethylbiphenyl with P450 101. The molecular dynamics simulations predicted that the rank order of substrate mobility in the active site of P450 101 was o-xylene > p- xylene > dimethylbiphenyl. The observed isotope effects for the trideutero analogues were 10.6, 7.4, and 2.7, for the o-xylene, p-xylene, and 4,4'- dimethylbiphenyl, respectively. Thus, as the theoretically predicted rates of interchange between the isotopically distinct methyl groups decrease, the observed isotope effect decreases. The agreement between the theoretical predictions and experimental results provides strong support for the distance hypothesis stated above and for the potential of computational analysis to enhance our understanding of protein/small molecule interactions.

Sodium Aminodiboranate, a New Reagent for Chemoselective Reduction of Aldehydes and Ketones to Alcohols

Wang, Jin,Guo, Yu,Li, Shouhu,Chen, Xuenian

supporting information, p. 1104 - 1108 (2021/05/25)

Sodium aminodiboranate (NaNH 2(BH 3) 2, NaADBH) is a new member of the old borane family, which exhibits superior performance in chemoselective reduction. Experimental results show that NaADBH can rapidly reduce aldehydes and ketones to the corresponding alcohols in high efficiency and selectivity under mild conditions. There are little steric and electronic effects on this reduction.

Experimental and density functional theory studies on hydroxymethylation of phenylboronic acids with paraformaldehyde over a Rh-PPh3 catalyst

Wang, Kuan,Lan, Jie,He, Zhen-Hong,Cao, Zhe,Wang, Weitao,Yang, Yang,Liu, Zhao-Tie

, (2020/12/01)

The synthesis of benzyl alcohols (BAs) is highly vital for their wide applications in organic synthesis and pharmaceuticals. Herein, BAs was efficiently synthesized via hydroxymethylation of phenylboronic acids (PBAs) and paraformaldehyde over a simple Rh-PPh3 catalyst combined with an inorganic base (NaOH). A variety of BAs with the groups of CH3?, CH3O?, Cl?, Br?, and so on were obtained with moderate to good yields, indicating that the protocol had a good universality. Density functional theory (DFT) calculations proposed the Hayashi-type arylation mechanism involved the arylation step of PBA and Rh(OH)(PPh3)2 catalyst to form Rh(I)-bound aryl intermediates and the hydrolysis step of Rh(I)-bound aryl intermediates and HCHO to generate BA product (the rate-determining step). The present route provides a valuable and direct method for the synthesis of BAs and expands the application range of paraformaldehyde.

Reaction of Diisobutylaluminum Borohydride, a Binary Hydride, with Selected Organic Compounds Containing Representative Functional Groups

Amberchan, Gabriella,Snelling, Rachel A.,Moya, Enrique,Landi, Madison,Lutz, Kyle,Gatihi, Roxanne,Singaram, Bakthan

supporting information, p. 6207 - 6227 (2021/05/06)

The binary hydride, diisobutylaluminum borohydride [(iBu)2AlBH4], synthesized from diisobutylaluminum hydride (DIBAL) and borane dimethyl sulfide (BMS) has shown great potential in reducing a variety of organic functional groups. This unique binary hydride, (iBu)2AlBH4, is readily synthesized, versatile, and simple to use. Aldehydes, ketones, esters, and epoxides are reduced very fast to the corresponding alcohols in essentially quantitative yields. This binary hydride can reduce tertiary amides rapidly to the corresponding amines at 25 °C in an efficient manner. Furthermore, nitriles are converted into the corresponding amines in essentially quantitative yields. These reactions occur under ambient conditions and are completed in an hour or less. The reduction products are isolated through a simple acid-base extraction and without the use of column chromatography. Further investigation showed that (iBu)2AlBH4 has the potential to be a selective hydride donor as shown through a series of competitive reactions. Similarities and differences between (iBu)2AlBH4, DIBAL, and BMS are discussed.

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