3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol

• ChemBase ID: 12070
• Molecular Formular: C10H5F17O
• Molecular Mass: 464.1189544
• Monoisotopic Mass: 464.00689452
• SMILES: FC(C(C(C(C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
• InChIKey: JJUBFBTUBACDHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol
• IUPAC Traditional name: 8:2 fluorotelomer alcohol; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol
• Synonyms: 1H,1H,2H,2H-Perfluoro-1-decanol; 1H,1H,2H,2H-Heptadecafluoro-n-decanol; 1H,1H,2H,2H-Perfluoro-1-decanol; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanol; 1H,1H,2H,2H-Perfluoro-1-decanol; 2-(Perfluorooctyl)ethanol; 1H,1H,2H,2H-Perfluorodecan-1-ol 97%; 1H,1H,2H,2H-全氟-1-癸醇; 1H,1H,2H,2H-十七氟正癸醇; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟-1-癸醇; 1H,1H,2H,2H-全氟-1-癸醇

Database IDs

• CAS Number: 678-39-7
• EC Number: 211-648-0
• MDL Number: MFCD00039544
• Beilstein Number: 2227487
• PubChem SID: 160975377; 24877914
• PubChem CID: 69619

CALCULATED PROPERTIES

• Acid pKa: 15.763865
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.6113214
• LogD (pH = 7.4): 5.6113214
• Log P: 5.6113214
• Molar Refractivity: 50.8392 cm^3
• Polarizability: 19.983082 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 45-50°C; 45-51°C; 50°C
• Boiling Point: 112-114°C/10mm; 112-114°C/10mm
• Flash Point: >110 °C; >110°C; >230 °F

Safety Information

• Storage Warning: IRRITANT; Irritant
• German water hazard class: 1
• TSCA Listed: false; 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: CF3(CF2)7CH2CH2OH

DETAILS

Sigma Aldrich - 532789

Packaging
5, 25 g in glass bottle