Benzenemethanol, 4-methyl-alpha,alpha-bis(trifluoromethyl)-

Base Information

• Chemical Name: Benzenemethanol, 4-methyl-alpha,alpha-bis(trifluoromethyl)-
• CAS No.: 2010-61-9
• Molecular Formula: C10H8F6O
• Molecular Weight: 258.163
• Hs Code.: 2903999090
• European Community (EC) Number: 217-928-9
• UNII: W6HQP575VA
• DSSTox Substance ID: DTXSID3062102
• Nikkaji Number: J199.819F
• Wikidata: Q81989852
• Mol file: 2010-61-9.mol

Synonyms:2010-61-9;Hexafluoro-2-(p-tolyl)isopropanol;Hexafluoro-2-(p-tolyl)-2-propanol;Benzenemethanol, 4-methyl-alpha,alpha-bis(trifluoromethyl)-;Hexafluoro-2-(4-tolyl)isopropanol;2-(p-Tolyl)hexafluoroisopropanol;1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol;Hexafluoro-2-(4-methylphenyl)propan-2-ol;W6HQP575VA;C10H8F6O;EINECS 217-928-9;4-Methyl-alpha,alpha-bis(trifluoromethyl)benzyl alcohol;Benzenemethanol, 4-methyl-.alpha.,.alpha.-bis(trifluoromethyl)-;1,1,1,3,3,3-Hexafluoro-2-p-tolylpropan-2-ol;4-Methyl-alpha,alpha-bis(trifluoromethyl)benzenemethanol;EC-000.1821;UNII-W6HQP575VA;SCHEMBL428959;DTXSID3062102;Hexafluoro-2(p-tolyl)isopropanol;4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)toluene;Hexafluoro-2-(p-tolyl)-i-propanol;MFCD00015357;AKOS007930723;FS-3931;2-(4-methylphenyl)hexafluoropropan-2-ol;FT-0626978;4-(HEXAFLUORO-2-HYDROXYISOPROPYL)TOLUENE;1,1,1,3,3,3-hexafluoro-2-(p-tolyl)propan-2-ol;p-methyl-alpha,alpha-bistrifluoromethylbenzyl alcohol;1,1,1,3,3,3-Hexafluoro-2-(4-methylphenyl)propan-2-o;2-(P-TOLYL)-1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL;BENZENEMETHANOL,4-METHYL-A,A-BIS(TRIFLUOROMETHYL)-;4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]toluene;4-METHYL-.ALPHA.,.ALPHA.-BIS(TRIFLUOROMETHYL)BENZENEMETHANOL

Chemical Property of Benzenemethanol, 4-methyl-alpha,alpha-bis(trifluoromethyl)-

Chemical Property:

• Vapor Pressure: 0.0192mmHg at 25°C
• Refractive Index: 1.424
• Boiling Point: 241.6 °C at 760 mmHg
• PKA: 9.37±0.15(Predicted)
• Flash Point: 99.9 °C
• PSA: 20.23000
• Density: 1.386 g/cm³
• LogP: 3.30720
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 258.04793385
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

99%, ^*data from raw suppliers

Hexafluoro-2-(p-tolyl)isopropanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O
• Uses: Hexafluoro-2-(p-tolyl)isopropanol (CAS# 2010-61-9) can be used to produce polyurethane adhesive resin compound containing rubber particles. It can be used to produce polyurethane resin compounds and adhesive tape for mobile devices.

Technology Process of Benzenemethanol, 4-methyl-alpha,alpha-bis(trifluoromethyl)-

There total 4 articles about Benzenemethanol, 4-methyl-alpha,alpha-bis(trifluoromethyl)- 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:

1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl 2-methylpropane-2-sulfinate → 1,1,1,3,3,3-hexafluoro-2-(p-tolyl)propan-2-ol (2010-61-9) + (R)-2-methylpropane-2-sulfinamide (196929-78-9)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.201301676

Reference yield:

Hexafluoroacetone (684-16-2) + toluene (108-88-3,15644-74-3,16713-13-6) → 1,1,1,3,3,3-hexafluoro-2-(p-tolyl)propan-2-ol (2010-61-9)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/ja01089a020 DOI:10.1007/BF00905999

Reference yield:

para-bromotoluene (106-38-7) + Hexafluoroacetone (684-16-2) → 1,1,1,3,3,3-hexafluoro-2-(p-tolyl)propan-2-ol (2010-61-9)

Guidance literature:

With iodine; magnesium; Yield given. Multistep reaction; 1.) ether, reflux; 2.) ether, overnight;

DOI:10.1021/ja00272a050

upstream raw materials:

para-bromotoluene

Hexafluoroacetone

toluene

Refernces

• 1、 Allen, Anette D.,Kanagasabapathy, V. M.,Tidwell, Thomas T.. "Doubly Destabilized Carbocations. Strong Aryl Delocalization and the Attenuation of Rate Decelerating Effects of CF3 and CN Groups". . p. 3470 - 3474. Retrieved 2007/10/02.