Ethyl Perfluorononanoate

Base Information

• Chemical Name: Ethyl Perfluorononanoate
• CAS No.: 30377-52-7
• Molecular Formula: C11H5 F17 O2
• Molecular Weight: 492.132
• Hs Code.: 2915900090
• European Community (EC) Number: 250-159-7
• UNII: 2SH42J49JW
• DSSTox Substance ID: DTXSID60184456
• Nikkaji Number: J249.971A
• Wikidata: Q81985503
• Mol file: 30377-52-7.mol

Synonyms:Ethyl Perfluorononanoate;30377-52-7;Ethyl perfluorononan-1-oate;ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate;Ethyl Heptadecafluorononanoate;C11H5F17O2;2SH42J49JW;EINECS 250-159-7;Heptadecafluorononanoic Acid Ethyl Ester;Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-, ethyl ester;ethyl perfluoropelargonate;UNII-2SH42J49JW;SCHEMBL3861059;DTXSID60184456;Perfluorononanoic Acid Ethyl Ester;MFCD00039245;AKOS003788929;Heptadecafluorononanoic acid, ethyl ester;FT-0626229;H1038;D90999;J-017936

Chemical Property of Ethyl Perfluorononanoate

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Vapor Pressure: 0.479mmHg at 25°C
• Refractive Index: 1.3080 to 1.3120
• Boiling Point: 84-85°C 15mm,192.8 °C at 760 mmHg
• Flash Point: 68.8 °C
• PSA: 26.30000
• Density: 1.605 g/cm³
• LogP: 5.55890
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 9
• Exact Mass: 492.0018082
• Heavy Atom Count: 30
• Complexity: 647

Purity/Quality:

98%,99%, ^*data from raw suppliers

EthylPerfluorononanoate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl Perfluorononanoate

There total 5 articles about Ethyl Perfluorononanoate 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-iodoheptadecafluorooctane (507-63-1) + Diethyl carbonate (105-58-8,76619-83-5) → perfluorocetane (355-49-7) + perfluorononanoic acid ethyl ester (30377-52-7)

Guidance literature:

With hydrogenchloride; water; chloroformic acid ethyl ester; copper; zinc; Yield given. Multistep reaction; 1) 80-90 degC,;

DOI:10.1016/S0040-4020(01)91802-2

Reference yield:

1-iodoheptadecafluorooctane (507-63-1) + Diethyl carbonate (105-58-8,76619-83-5) → perfluorononanoic acid ethyl ester (30377-52-7) + perfluoroheptadecan-9-one

Guidance literature:

With methyllithium; In diethyl ether; at -78 ℃; for 0.5h;

DOI:10.1016/S0022-1139(00)80935-5

Reference yield:

1-iodoheptadecafluorooctane (507-63-1) + diethyl dicarbonate (1609-47-8) → perfluorononanoic acid ethyl ester (30377-52-7)

Guidance literature:

With hydrogenchloride; water; chloroformic acid ethyl ester; copper; zinc; Multistep reaction; 1) 80-90 degC,;

DOI:10.1016/S0040-4020(01)91802-2

upstream raw materials:

1-iodoheptadecafluorooctane

diethyl dicarbonate

Diethyl carbonate

Downstream raw materials:

perfluorononanoic acid

Refernces

• 1、 Benefice, S.,Blancou, H.,Commeyras, A.. "REACTIVITE DES PERFLUOROIODOALCANES AVEC LES CARBONATES ET PYROCARBONATES D'ALCOYLES EN PRESENCE DE COUPLE METALLIQUE ZINC-CUIVRE". . p. 1541 - 1544. Retrieved 2007/10/02.