Ethyl perfluorooctanoate

Base Information

• Chemical Name: Ethyl perfluorooctanoate
• CAS No.: 3108-24-5
• Deprecated CAS: 173441-60-6
• Molecular Formula: C10H5F15O2
• Molecular Weight: 442.125
• Hs Code.: 29159000
• European Community (EC) Number: 221-468-4
• DSSTox Substance ID: DTXSID5062849
• Nikkaji Number: J217.274G
• Wikidata: Q81985300
• ChEMBL ID: CHEMBL172645
• Mol file: 3108-24-5.mol

Synonyms:Ethyl perfluorooctanoate;3108-24-5;Ethyl perfluorocaprylate;ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate;EINECS 221-468-4;Octanoic acid, pentadecafluoro-, ethyl ester;Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester;Ethyl perfluorooctanoat;Ethyl perfluorooctanonate;Ethyl pentadecafluorocaprylate;Ethyl pentadecafluorooctanoate;SCHEMBL197278;CHEMBL172645;DTXSID5062849;C10H5F15O2;MFCD00018063;AKOS007930416;C10-H5-F15-O2;Pentadecafluorooctanoic acid ethyl ester;LS-193707;CS-0320445;FT-0626230;J-018237;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-octanoic acid ethyl ester

Chemical Property of Ethyl perfluorooctanoate

Chemical Property:

• Vapor Pressure: 1.69mmHg at 25°C
• Refractive Index: 1.3118
• Boiling Point: 167.5 °C at 760 mmHg
• Flash Point: 58.3 °C
• PSA: 26.30000
• Density: 1,626 g/cm³
• LogP: 4.92360
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 442.0050018
• Heavy Atom Count: 27
• Complexity: 561

Purity/Quality:

99% ^*data from raw suppliers

Ethyl perfluorooctanoate 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Uses: Ethyl Perfluorooctanoate is used in preparation of antifouling anti-icing Hydrophobic smooth cloth filled with lubricant.

Technology Process of Ethyl perfluorooctanoate

There total 3 articles about Ethyl 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:

ethanol (64-17-5) + Perfluorooctanoic acid (335-67-1) → ethyl perfluorooctanoate (3108-24-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/jo01066a076 DOI:10.1246/bcsj.66.1356

Reference yield:

ethyl iodide (75-03-6) → ethyl perfluorooctanoate (3108-24-5)

Guidance literature:

With acetone;

DOI:10.1021/jo01097a039

Reference yield:

Perfluorooctanoic acid (335-67-1) + N,N-dimethylformamide diethyl diacetal (1188-33-6) → ethyl perfluorooctanoate (3108-24-5) + C8F15O2(1-)*C9H21N2(1+)

Guidance literature:

In acetonitrile; at 100 ℃; for 0.25h; Sealed tube;

DOI:10.1177/1469066719880546

upstream raw materials:

ethanol

Perfluorooctanoic acid

ethyl iodide

N,N-dimethylformamide diethyl diacetal

Downstream raw materials:

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadecafluoro-1-(triphenyl-λ⁵-phosphanylidene)-nonan-2-one

benzoic acid ethyl ester

perfluoroheptan-(2-phenyl)ethyl-one

C₁₄H₆F₁₅NO

Refernces

• 1、 H. Gross, Jürgen,Schuhen, Katrin,Stró?yńska, Monika. "Structural investigation of perfluorocarboxylic acid derivatives formed in the reaction with N,N-dimethylformamide dialkylacetals". . p. 131 - 143. Retrieved 2019/12/24.