Perfluoro(2-methyl-3-pentanone)

Base Information

• Chemical Name: Perfluoro(2-methyl-3-pentanone)
• CAS No.: 756-13-8
• Deprecated CAS: 873685-17-7
• Molecular Formula: C6F12O
• Molecular Weight: 316.046
• Hs Code.: 2914700090
• European Community (EC) Number: 436-710-6,616-243-6
• DSSTox Substance ID: DTXSID4074932
• Nikkaji Number: J953.676K
• Wikipedia: Novec_649/1230,Perfluoro(2-methyl-3-pentanone)
• Wikidata: Q619868
• Mol file: 756-13-8.mol

Synonyms:3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-;

Chemical Property of Perfluoro(2-methyl-3-pentanone)

Chemical Property:

• Vapor Pressure: 196mmHg at 25°C
• Melting Point: -108ºC
• Refractive Index: 1.264
• Boiling Point: 60°C at 760mmHg
• Flash Point: 9.1°C
• PSA: 17.07000
• Density: 1.66g/cm³
• LogP: 3.58600
• Water Solubility.: 24-332.6mg/L at 25℃
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 2
• Exact Mass: 315.9757526
• Heavy Atom Count: 19
• Complexity: 342

Purity/Quality:

99.6%, ^*data from raw suppliers

Perfluoro(2-methyl-3-pentanone) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F
• Uses: Perfluoro(2-methyl-3-pentanone) has outstanding flame retardant effect to prevent burning and is used in the protection of molten magnesium and fire extinguishing agents with no impact on the environment.

Technology Process of Perfluoro(2-methyl-3-pentanone)

There total 22 articles about Perfluoro(2-methyl-3-pentanone) 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: 98.2%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + perfluoropropanoyl fluoride (422-61-7) → perfluoro-2-methylpentan-3-one (756-13-8)

Guidance literature:

With iron(III) trifluoride; 18-crown-6 ether; In acetonitrile; at 90 ℃; for 10h; Autoclave;

Reference yield: 97.8%

1,1,1,3,4,4,5,5,5-nonafluoro-2-trifluoromethyl-2,3-epoxypentane (788-67-0) → perfluoro-2-methylpentan-3-one (756-13-8)

Guidance literature:

In diethylene glycol; at 60 ℃; for 2h; Temperature; Reagent/catalyst; Autoclave;

Reference yield: 96.8%

polytetrafluoroethylene (116-14-3,82785-14-6) + perfluoroisobutyryl fluoride (677-84-9) → perfluoro-2-methylpentan-3-one (756-13-8)

Guidance literature:

With iron(III) trifluoride; 18-crown-6 ether; In acetonitrile; at 90 ℃; for 10h; Autoclave;

upstream raw materials:

perfluoro(4-methyl-2-pentene) oxide

1,1,1,3,4,4,5,5,5-nonafluoro-2-trifluoromethyl-2,3-epoxypentane

1,1,1,4,5,5,5-heptafluoro-3-(pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-ene

2,3-bis(fluorosulfato)perfluoro-(2-methylpentane)

Downstream raw materials:

1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-pentane

N-tetramethyleneperfluoropropanamide

1,1,1,2,3,3,3-Heptafluoropropane

N-butyl pentafluoropropionamide

Refernces

• 1、 -. "Method for preparing pentafluoride ethyl perfluoro isopropyl ketone through gas phases". Paragraph 0046-0048. . Retrieved 2018/08/03.
• 2、 -. "Preparation method of perfluoro-2-methyl-3-pentanone". Paragraph 0025; 0026; 0027; 0028; 0029; 0030; 0031-0056. . Retrieved 2017/06/02.