6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione

Base Information

• Chemical Name: 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione
• CAS No.: 17587-22-3
• Molecular Formula: C10H11F7O2
• Molecular Weight: 296.185
• Hs Code.: 29147000
• European Community (EC) Number: 241-556-6
• DSSTox Substance ID: DTXSID3066215
• Nikkaji Number: J208.408B
• Wikidata: Q72470536
• ChEMBL ID: CHEMBL3039601
• Mol file: 17587-22-3.mol

Synonyms:(heptafluorobutanoyl)pivaloylmethane;1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione;2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-heptanedione;2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione, (3)H-labeled;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione

Chemical Property of 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione

Chemical Property:

• Appearance/Colour: Colourless liquid
• Vapor Pressure: 0.0812mmHg at 25°C
• Melting Point: 38 °C
• Refractive Index: n20/D 1.379(lit.)
• Boiling Point: 172.7 °C at 760 mmHg
• PKA: 6.74±0.46(Predicted)
• Flash Point: 75.5 °C
• PSA: 34.14000
• Density: 1.309 g/cm³
• LogP: 3.39370
• Storage Temp.: Flammables area
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 296.06472672
• Heavy Atom Count: 19
• Complexity: 376

Purity/Quality:

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

2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 10-37
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
• Uses: 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione (2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione) was used as a co-inducer in the production of human γ interferon (HuIFN-γ). It was also used as a beta-diketone chelating agent in the extraction of supercritical carbon dioxide.