Cas no 426-64-2 (Butanoic acid,heptafluoro-, 1,10-decanediyl ester (9CI))

Butanoic acid,heptafluoro-, 1,10-decanediyl ester (9CI) structure
426-64-2 structure
Product Name:Butanoic acid,heptafluoro-, 1,10-decanediyl ester (9CI)
CAS No:426-64-2
MF:C18H20F14O4
MW:566.326655387878
CID:324857
PubChem ID:57349933
Update Time:2025-04-19

Butanoic acid,heptafluoro-, 1,10-decanediyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,heptafluoro-, 1,10-decanediyl ester (9CI)
    • 4-HYDROXYPYRIDINE
    • DTXSID60897554
    • NS00111180
    • 1,10-bis-(heptafluorobutyryloxy)-decane
    • Decane-1,10-diyl bis(heptafluorobutanoate)
    • 426-64-2
    • Inchi: 1S/C18H20F14O4/c19-13(20,15(23,24)17(27,28)29)11(33)35-9-7-5-3-1-2-4-6-8-10-36-12(34)14(21,22)16(25,26)18(30,31)32/h1-10H2
    • InChI Key: AVVCGEANSDZGAS-UHFFFAOYSA-N
    • SMILES: FC(C(C(F)(F)F)(F)F)(C(=O)OCCCCCCCCCCOC(C(C(C(F)(F)F)(F)F)(F)F)=O)F

Computed Properties

  • Exact Mass: 566.1138034g/mol
  • Monoisotopic Mass: 566.1138034g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 17
  • Complexity: 656
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.5
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Melting Point: 150-151?°C(lit.)
  • Boiling Point: 230-235?°C12?mm Hg(lit.)

Butanoic acid,heptafluoro-, 1,10-decanediyl ester (9CI) Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • FLUKA BRAND F CODES:3-8-10
  • RTECS:UU7701450
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

Butanoic acid,heptafluoro-, 1,10-decanediyl ester (9CI) Related Literature

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