3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-methyloctan-2-ol

Base Information

• Chemical Name: 3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-methyloctan-2-ol
• CAS No.: 55793-32-3
• Molecular Formula: C9H8F12O
• Molecular Weight: 360.1401
• NSC Number: 86129
• DSSTox Substance ID: DTXSID20292864
• Wikidata: Q82031349
• Mol file: 55793-32-3.mol

Synonyms:55793-32-3;3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-2-methyloctan-2-ol;3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-Methyl-Octan-2-Ol;NSC86129;C9H8F12O;SCHEMBL5417596;DTXSID20292864;HQOBNNVTNWNVMF-UHFFFAOYSA-N;NSC-86129;AKOS024429090;3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-2-methyl-2-octanol

Chemical Property of 3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-methyloctan-2-ol

Chemical Property:

• Vapor Pressure: 0.0986mmHg at 25°C
• Boiling Point: 197.1°Cat760mmHg
• Flash Point: 73°C
• PSA: 20.23000
• Density: 1.496g/cm³
• LogP: 4.19890
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 360.0383528
• Heavy Atom Count: 22
• Complexity: 413

Purity/Quality:

99% ^*data from raw suppliers

3,3,4,4,5,5,6,6,7,7,8,8-DODECAFLUORO-2-METHYL-OCTAN-2-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-methyloctan-2-ol

There total 2 articles about 3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-methyloctan-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: 34.0%

(n-perfluoro hexyl) 1,6-di(magnesiumbromide) (55793-30-1) + acetone (67-64-1) → 1H,1H,1H,2H,8H-dodecafluoro-2-methyl-octan-2-ol (55793-32-3)

Guidance literature:

at -70°C, 18 h stirring;

DOI:10.1016/S0022-1139(00)82506-3

Reference yield:

→ 1H,1H,1H,2H,8H-dodecafluoro-2-methyl-octan-2-ol (55793-32-3)

Guidance literature:

BrMg(CF2)6MgBr, Ueberschuss Aceton;

DOI:10.1016/S0022-1139(00)82506-3

upstream raw materials:

(n-perfluoro hexyl) 1,6-di(magnesiumbromide)

acetone