2,3,4,5,6-Pentamethylbenzyl alcohol

Base Information

• Chemical Name: 2,3,4,5,6-Pentamethylbenzyl alcohol
• CAS No.: 484-66-2
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 29062900
• European Community (EC) Number: 207-609-2
• DSSTox Substance ID: DTXSID30197513
• Nikkaji Number: J182.226H
• Wikidata: Q72499897
• Mol file: 484-66-2.mol

Synonyms:484-66-2;2,3,4,5,6-Pentamethylbenzyl alcohol;(2,3,4,5,6-pentamethylphenyl)methanol;EINECS 207-609-2;(PENTAMETHYLPHENYL)METHANOL;CDS1_000631;pentamethylbenzyl alcohol;pentamethylphenyl-methanol;Maybridge1_002919;DivK1c_001671;SCHEMBL357717;HMS549M15;DTXSID30197513;MFCD00014421;AKOS009158850;2,3,4,5,6-Pentamethyl benzyl alcohol;CD 02784;(2,3,4,5,6-pentamethyl-phenyl)-methanol;FT-0609336;2,3,4,5,6-Pentamethylbenzyl alcohol, 99%;A827537;J-640205;J-800207

Chemical Property of 2,3,4,5,6-Pentamethylbenzyl alcohol

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.00816mmHg at 25°C
• Melting Point: 159-163 °C(lit.)
• Refractive Index: 1.527
• Boiling Point: 256 °C at 760 mmHg
• PKA: 14.66±0.10(Predicted)
• Flash Point: 116 °C
• PSA: 20.23000
• Density: 0.965 g/cm³
• LogP: 2.72090
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,5,6-Pentamethylbenzyl alcohol 99% ^*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=C(C(=C(C(=C1C)C)CO)C)C

Technology Process of 2,3,4,5,6-Pentamethylbenzyl alcohol

There total 29 articles about 2,3,4,5,6-Pentamethylbenzyl 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: 100.0%

2,3,4,5,6-pentamethylbenzyl chloride (484-65-1) → 2,3,4,5,6-pentamethylbenzyl alcohol (484-66-2)

Guidance literature:

With water; silver nitrate; In acetone; for 3h; Ambient temperature;

DOI:10.1021/ja00188a048

Reference yield: 95.0%

Hexamethylbenzene (87-85-4) → 2,3,4,5,6-pentamethylbenzyl alcohol (484-66-2)

Guidance literature:

With MnO⁽²⁺⁾*C₂₃H₂₁N₅*CHF₃O₃S; In 2,2,2-trifluoroethanol; acetonitrile; at -0.16 ℃; Reagent/catalyst; Kinetics;

DOI:10.1002/anie.201602460

Reference yield: 73.0%

Hexamethylbenzene (87-85-4) → 1-acetoxymethyl-2,3,4,5,6-pentamethylbenzene (19936-85-7) + 2,3,4,5,6-pentamethylbenzyl alcohol (484-66-2)

Guidance literature:

With potassium 12-wolframocobalt(III)ate; In water; acetic acid; at 102 ℃; for 0.25h;

upstream raw materials:

2,3,4,5,6-pentamethylbromobenzene

1-acetoxymethyl-2,3,4,5,6-pentamethylbenzene

pentamethylbenzene,

chloromethyl methyl ether

Downstream raw materials:

(Phenyl)-(pentamethylbenzyl)-sulfid

trifluoro-acetic acid pentamethylphenylmethyl ester

succinic acid mono-(2,3,4,5,6-pentamethylbenzyl) ester

Hexamethylbenzene

Refernces

• 1、 Hong, Young Hyun,Han, Ji Won,Jung, Jieun,Nakagawa, Tatsuo,Lee, Yong-Min,Nam, Wonwoo,Fukuzumi, Shunichi. "Photocatalytic Oxygenation Reactions with a Cobalt Porphyrin Complex Using Water as an Oxygen Source and Dioxygen as an Oxidant". supporting information. p. 9155 - 9159. Retrieved 2019/06/21.
• 2、 Jung, Jieun,Kim, Surin,Lee, Yong-Min,Nam, Wonwoo,Fukuzumi, Shunichi. "Switchover of the Mechanism between Electron Transfer and Hydrogen-Atom Transfer for a Protonated Manganese(IV)–Oxo Complex by Changing Only the Reaction Temperature". supporting information. p. 7450 - 7454. Retrieved 2016/07/06.