2,4,6-Trimethylbenzyl alcohol

Base Information

• Chemical Name: 2,4,6-Trimethylbenzyl alcohol
• CAS No.: 4170-90-5
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 29062990
• European Community (EC) Number: 224-032-1
• UNII: REV3KVT84N
• DSSTox Substance ID: DTXSID70194506
• Nikkaji Number: J14.524F
• Wikidata: Q27288082
• Mol file: 4170-90-5.mol

Synonyms:2,4,6-TRIMETHYLBENZYL ALCOHOL;4170-90-5;Mesitylmethanol;Mesitylcarbinol;(2,4,6-trimethylphenyl)methanol;Benzenemethanol, 2,4,6-trimethyl-;BRN 1862608;2,4,6-Trimethylbenzylic alcohol;Benzyl alcohol, 2,4,6-trimethyl-;EINECS 224-032-1;UNII-REV3KVT84N;REV3KVT84N;2,4,6-Trimethyl-benzenemethanol;(2,4,6-Trimethyl-phenyl)-methanol;4-06-00-03362 (Beilstein Handbook Reference);2,4,6-Trimethylbenzenemethanol;SCHEMBL95192;TRIMETHYLBENZENEMETHANOL;DTXSID70194506;MFCD00014422;AKOS000249582;2,4,6-Trimethylbenzyl alcohol, 99%;3-CHLOROISONICOTINICACIDETHYLESTER;DS-11387;LS-43148;CS-0153274;FT-0609903;T1905;EN300-55811;A825630;J-640204;J-800206;W-106297;Q27288082;Z335244802

Chemical Property of 2,4,6-Trimethylbenzyl alcohol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.0282mmHg at 25°C
• Melting Point: 87-89 °C(lit.)
• Refractive Index: 1.532
• Boiling Point: 235.1 °C at 760 mmHg
• PKA: 14.51±0.10(Predicted)
• Flash Point: 105.9 °C
• PSA: 20.23000
• Density: 0.987 g/cm³
• LogP: 2.10410
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

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

2,4,6-Trimethylbenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)CO)C
• Uses: 2,4,6-Trimethylbenzyl alcohol was used in the synthesis of 3-(2,4,6-trimethylbenzyl)indole.

Technology Process of 2,4,6-Trimethylbenzyl alcohol

There total 33 articles about 2,4,6-Trimethylbenzyl alcohol 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: 98.0%

2-chloromethyl-1,3,5-trimethylbenzene (1585-16-6) → 2,4,6-trimethylbenzyl alcohol (4170-90-5)

Guidance literature:

With iron(III) sulfate; water; In toluene; at 110 ℃; for 0.7h; Ionic liquid;

DOI:10.1039/c0nj00454e

Reference yield: 98.0%

2,4,6-trimethyl-benzoic acid-anhydride (5745-51-7) → 2,4,6-trimethylbenzyl alcohol (4170-90-5) + mesitylenecarboxylic acid (480-63-7)

Guidance literature:

With Li⁽¹⁺⁾*C₁₂H₂₈AlO₃^(1-); In tetrahydrofuran; hexane; at -78 ℃; for 1h;

DOI:10.1021/jo00184a010

Reference yield: 87.0%

mesytaldehyde (487-68-3) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 2,4,6-trimethylbenzyl alcohol (4170-90-5) + 4,4,5,5-tetramethyl-2-((2,4,6-trimethylbenzyl)oxy)-1,3,2-dioxaborolane (1373393-11-3)

Guidance literature:

With tris(cyclopentadienyl)lanthanum(III); In tetrahydrofuran; at 25 ℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1021/acs.orglett.7b01335

upstream raw materials:

mesitylenecarboxylic acid

2,4,6-trimethylbenzyl acetate

methyl 2,4,6-trimethylbenzoate

2,4,6,2',4',6'-hexamethyl-bibenzyl-α,α'-diol

Downstream raw materials:

1,2,3,5-Tetramethylbenzene

2-(2,4,6-trimethylphenyl)ethanol

benzene-1,2,3,5-tetracarboxylic acid

2,4,6-trimethylbenzylbromide

Refernces

• 1、 Coufourier, Sébastien,Ndiaye, Daouda,Gaillard, Quentin Gaignard,Bettoni, Léo,Joly, Nicolas,Mbaye, Mbaye Diagne,Poater, Albert,Gaillard, Sylvain,Renaud, Jean-Luc. "Iron-catalyzed chemoselective hydride transfer reactions". supporting information. . Retrieved 2021/06/07.
• 2、 Coufourier, Sébastien,Gaillard, Sylvain,Mbaye, Mbaye Diagne,Ndiaye, Daouda,Renaud, Jean-Luc. "Cyclopentadienone iron tricarbonyl complexes-catalyzed hydrogen transfer in water". supporting information. . Retrieved 2020/01/28.