3,3,4,5,5,5-Hexafluoro-2-methylpentan-2-ol

Base Information

• Chemical Name: 3,3,4,5,5,5-Hexafluoro-2-methylpentan-2-ol
• CAS No.: 58380-92-0
• Molecular Formula: C6H8F6O
• Molecular Weight: 210.119
• DSSTox Substance ID: DTXSID00540951
• Nikkaji Number: J25.039B
• Mol file: 58380-92-0.mol

Synonyms:58380-92-0;3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol;2,2,3,4,4,4-hexafluoro-1,1-dimethylbutanol;3,3,4,5,5,5-Hexafluoro-2-methyl-pentan-2-ol;2-Pentanol, 3,3,4,5,5,5-hexafluoro-2-methyl-;SCHEMBL5852861;DTXSID00540951;AHOBFJZDSQJNCO-UHFFFAOYSA-N;MFCD04972893;AKOS007930722;FS-6547

Chemical Property of 3,3,4,5,5,5-Hexafluoro-2-methylpentan-2-ol

Chemical Property:

• Vapor Pressure: 5.256mmHg at 25°C
• Boiling Point: 126.843oC at 760 mmHg
• PKA: 13.23±0.29(Predicted)
• Flash Point: 30.514oC
• PSA: 20.23000
• Density: 1.327g/cm3
• LogP: 2.29300
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 210.04793385
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99%, ^*data from raw suppliers

SG000262:3,3,4,5,5,5-Hexafluoro-2-methyl-pentan-2-ol 98 ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(C(C(F)(F)F)F)(F)F)O

Technology Process of 3,3,4,5,5,5-Hexafluoro-2-methylpentan-2-ol

There total 2 articles about 3,3,4,5,5,5-Hexafluoro-2-methylpentan-2-ol 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: 89.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + isopropyl alcohol (67-63-0,8013-70-5) → 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol (58380-92-0)

Guidance literature:

With di-tert-butyl peroxide; at 140 ℃; for 20h; under 7600.51 Torr;

DOI:10.1134/S1070427207030123

Reference yield:

2-(1,1,2,3,3,3-hexafluoropropyl)tetrahydrofuran (53005-42-8) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → 2,3-dimethyl-2,3-butane diol (76-09-5) + 2,5-Bis(1,1,2,3,3,3-Hexafluoropropyl)oxolane (131319-28-3) + 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol (58380-92-0) + 2-[5-(1,1,2,3,3,3-Hexafluoro-propyl)-tetrahydro-furan-2-yl]-propan-2-ol

Guidance literature:

With acetone; Yield given. Yields of byproduct given; Irradiation;

DOI:10.1016/S0022-1139(96)03511-7

Reference yield:

3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol (58380-92-0) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → C9H12F6O2

Guidance literature:

With potassium hydroxide; In acetonitrile; at 20 - 50 ℃;

DOI:10.1134/S1070427207030123

upstream raw materials:

perfluoropropylene

isopropyl alcohol

2-(1,1,2,3,3,3-hexafluoropropyl)tetrahydrofuran

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