n-Butyl perfluorooctanoate

Base Information

• Chemical Name: n-Butyl perfluorooctanoate
• CAS No.: 307-96-0
• Molecular Formula: C12H9 F15 O2
• Molecular Weight: 470.178
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID20895738
• Nikkaji Number: J191.943A
• Wikidata: Q82872038
• Mol file: 307-96-0.mol

Synonyms:n-Butyl perfluorooctanoate;307-96-0;Butyl perfluorooctanoate;Butyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate;Butyl pentadecafluorooctanoate;n-Butyl perfluorooctanoate, 92%;SCHEMBL10349692;DTXSID20895738;MFCD00045111;AKOS016015456;Pentadecafluorooctanoic acid butyl ester;Pentadecafluorooctanoic acid, butyl ester;FT-0631931

Chemical Property of n-Butyl perfluorooctanoate

Chemical Property:

• Vapor Pressure: 0.145mmHg at 25°C
• Refractive Index: 1.318
• Boiling Point: 215.8°C at 760 mmHg
• Flash Point: 82.1°C
• PSA: 26.30000
• Density: 1.506g/cm³
• LogP: 5.70380
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 10
• Exact Mass: 470.0363020
• Heavy Atom Count: 29
• Complexity: 593

Purity/Quality:

98%Min ^*data from raw suppliers

N-BUTYL PERFLUOROOCTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of n-Butyl perfluorooctanoate

There total 1 articles about n-Butyl perfluorooctanoate 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:

Perfluorooctanoic acid (335-67-1) + butan-1-ol (71-36-3) → pentadecafluoro-octanoic acid butyl ester (307-96-0)

Guidance literature:

With chloroform;

DOI:10.1021/ie51398a030

Reference yield:

pentadecafluoro-octanoic acid butyl ester (307-96-0) → 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-octanol (307-30-2)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ie51398a030

upstream raw materials:

Perfluorooctanoic acid

butan-1-ol

Downstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-octanol