1-(4-Methylphenyl)ethanol

Base Information

• Chemical Name: 1-(4-Methylphenyl)ethanol
• CAS No.: 536-50-5
• Deprecated CAS: 5788-09-0
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29062990
• European Community (EC) Number: 208-637-8,227-320-5
• NSC Number: 41714
• UNII: MUV6GV10SL
• DSSTox Substance ID: DTXSID00862145
• Nikkaji Number: J36.098H
• Wikidata: Q27284239
• Metabolomics Workbench ID: 46514
• Mol file: 536-50-5.mol

Synonyms:1-(4-Methylphenyl)ethanol;536-50-5;1-(p-Tolyl)ethanol;Bilagen;1-p-Tolylethanol;Norbilan;Galinex;Tomobil;Methyl-p-tolylcarbinol;p-Tolylmethylcarbinol;1-(4-Tolyl)ethanol;1-p-Tolyl-1-ethanol;1-(P-METHYLPHENYL)ETHANOL;Benzenemethanol, .alpha.,4-dimethyl-;Ethanol, 1-(p-tolyl)-;4-Methylphenylmethylcarbinol;4-Tolylmethylcarbinol;p,alpha-Dimethylbenzyl alcohol;MFCD00016860;FEMA No. 3139;1-(4-methylphenyl)ethan-1-ol;hawthorn carbinol;NSC 41714;4-(alpha-Hydroxyethyl)toluene;alpha,4-Dimethylbenzenemethanol;p-Tolylmethylcarbinol [German];4-Methyl-alpha-phenethyl alcohol;p,.alpha.-Dimethylbenzyl alcohol;4-(.alpha.-Hydroxyethyl)toluene;Benzyl alcohol, p,alpha-dimethyl-;Benzenemethanol, alpha,4-dimethyl-;EINECS 208-637-8;EINECS 227-320-5;UNII-MUV6GV10SL;Benzyl alcohol, p,.alpha.-dimethyl-;MUV6GV10SL;BRN 1857562;Methyl p-methylphenyl carbinol;AI3-36459;Dimethylbenzyl alcohol, p,alpha-;.alpha.,4-Dimethylbenzenemethanol;.alpha.,4-Dimethylbenzyl alcohol;(1)-p,alpha-Dimethylbenzyl alcohol;4-Methyl-.alpha.-phenethyl alcohol;(+/-)-1-(4-Methylphenyl)ethanol;NSC-41714;4-06-00-03242 (Beilstein Handbook Reference);Methyl p-tolyl carbinol;alpha,4-Dimethylbenzyl alcohol;paratolyl methyl carbinol;p-Methylphenyl Isopropanol;p,a-Dimethylbenzyl Alcohol;4,a-Dimethylbenzyl alcohol;1-PARA-TOLYLETHANOL;4-(1-Hydroxyethyl)toluene;Benzenemethanol,4-dimethyl-;SCHEMBL427794;Ethanol, 1-(4-methylphenyl);JESIHYIJKKUWIS-UHFFFAOYSA-;DTXSID00862145;CHEBI:191886;4-methyl-alpha-methylbenzyl alcohol;BCA15454;NSC41714;(+-)-p,alpha-dimethylbenzyl alcohol;1-(1-hydroxyethyl)-4-methylbenzene;AC1243;STL356364;(4-METHYLPHENYL)METHYLCARBINOL;AKOS000120846;AKOS016365958;DIMETHYLBENZYL ALCOHOL [WHO-DD];LS-2677;BENZENEMETHANOL, ?,4-DIMETHYL-;BP-21186;CS-11084;SY005050;1-(p-Tolyl)ethanol, >=97.0% (GC);(+/-)-1-(P-METHYLPHENYL)ETHANOL;(.+/-.)-p,.alpha.-Dimethylbenzyl alcohol;DIMETHYLBENZYL ALCOHOL, P,.ALPHA.-;DL-P,.ALPHA.-DIMETHYLBENZYL ALCOHOL;CS-0153076;FT-0605871;M0448;Benzenemethanol, .alpha.,4-dimethyl-, ( )-;EN300-20831;P,.ALPHA.-DIMETHYLBENZYL ALCOHOL [MI];Benzenemethanol, alpha,4-dimethyl-, (plusmn)-;(+/-)-P,.ALPHA.-DIMETHYLBENZYL ALCOHOL;Benzenemethanol, .alpha.,4-dimethyl-, (.+.)-;Benzyl alcohol, p,.alpha.-dimethyl-, (.+.)-;P-.ALPHA.-DIMETHYLBENZYL ALCOHOL [FHFI];(+/-)-.ALPHA.,4-DIMETHYLBENZENEMETHANOL;Benzenemethanol, .alpha.,4-dimethyl-, (.+/-.)-;W-105716;Q27284239;5788-09-0

Chemical Property of 1-(4-Methylphenyl)ethanol

Chemical Property:

• Appearance/Colour: Clear, colorless liquid.
• Melting Point: 81 - 82oC
• Refractive Index: n20/D 1.524
• Boiling Point: 215.689 °C at 760 mmHg
• PKA: 14.56±0.20(Predicted)
• Flash Point: 104.17 °C
• PSA: 20.23000
• Density: 0.996 g/cm³
• LogP: 2.04830
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: slightly soluble
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 92.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(p-Tolyl)ethanol >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC1=CC=C(C=C1)C(C)O
• Uses: 1-(4-Methylphenyl)ethanol serves as a component of the essential oil from some plants in the ginger family. It is also used as a flavoring agent.

Technology Process of 1-(4-Methylphenyl)ethanol

There total 206 articles about 1-(4-Methylphenyl)ethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) → CH3C6H4CH(CH3)OH (536-50-5)

Guidance literature:

With oxygen; tetraethylammonium borohydride; 5,10,15,20-tetraphenyl-21H,23H-porphine cobalt(II); In 1,2-dimethoxyethane; isopropyl alcohol; for 72h; Ambient temperature;

DOI:10.1021/jo00183a020

Reference yield: 94.0%

2-(4-methylphenyl)oxirane (13107-39-6) → 4-Methylphenethyl alcohol (699-02-5) + CH3C6H4CH(CH3)OH (536-50-5)

Guidance literature:

With dibutylmagnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 40 ℃; for 24h; regioselective reaction;

DOI:10.1021/jacs.0c05917

Reference yield: 93.0%

4-methylethylbenzene (622-96-8) → CH3C6H4CH(CH3)OH (536-50-5)

Guidance literature:

With C₂₂H₃₀B₁₀Cl₂FeN₆O₂; dihydrogen peroxide; In methanol; at 20 ℃; for 7h;

upstream raw materials:

acetaldehyde

para-methylphenylmagnesium bromide

aluminum isopropoxide

para-methylacetophenone

Downstream raw materials:

(1R)-1.2.2-trimethyl-cyclopentane-dicarboxylic acid-(1r.3c)-3-((Ξ)-1-p-tolyl-ethyl ester)

1-(4-methyl-1,3-cyclohe4xadienyl)-1-ethanone

2-(1-p-Tolyl-ethoxy)-[1,3,2]dioxaphospholane 2-oxide

4-methyl-1-methoxyethylbenzene

Refernces

• 1、 Zhang, Lin,Zhang, Ling,Chen, Qian,Li, Linlin,Jiang, Jian,Sun, Hao,Zhao, Chong,Yang, Yuanyong,Li, Chun. "Cinchona-Alkaloid-Derived NNP Ligand for Iridium-Catalyzed Asymmetric Hydrogenation of Ketones". supporting information. p. 415 - 419. Retrieved 2022/01/12.
• 2、 Fang, Fei,Chang, Jiarui,Zhang, Jie,Chen, Xuenian. "Efficient Solvent-Free Hydrosilylation of Aldehydes and Ketones Catalyzed by Fe2(CO)9/C6H4-o-(NCH2PPh2)2BH". . p. 3509 - 3515. Retrieved 2021/03/16.