Cas no 453-43-0 (2-Octanol,1,1,1-trifluoro-)

2-Octanol,1,1,1-trifluoro- is a fluorinated alcohol derivative characterized by the presence of a trifluoromethyl group at the 1-position of the octanol chain. This structural feature imparts unique physicochemical properties, including enhanced lipophilicity and chemical stability compared to non-fluorinated analogs. The compound is of interest in synthetic chemistry as a building block for specialty fluorinated materials, agrochemicals, and pharmaceuticals, where its trifluoromethyl group can influence bioavailability and metabolic resistance. Its applications also extend to use as an intermediate in the preparation of surfactants or solvents with tailored polarity. The fluorine substitution further contributes to thermal and oxidative stability, making it suitable for demanding industrial processes.
2-Octanol,1,1,1-trifluoro- structure
2-Octanol,1,1,1-trifluoro- structure
Product Name:2-Octanol,1,1,1-trifluoro-
CAS No:453-43-0
MF:C8H15F3O
MW:184.199313402176
CID:330833
PubChem ID:97804
Update Time:2025-05-28

2-Octanol,1,1,1-trifluoro- Chemical and Physical Properties

Names and Identifiers

    • 2-Octanol,1,1,1-trifluoro-
    • 1,1,1-TRIFLUORO-2-OCTANOL
    • 1,1,1-trifluorooctan-2-ol
    • NSC 42759
    • FT-0733901
    • 2-Octanol,1,1-trifluoro-
    • FT-0773829
    • 453-43-0
    • E87067
    • SCHEMBL574572
    • 1,1-Trifluoro-2-octanol
    • EINECS 207-220-8
    • 1-trifluoromethyl-heptanol
    • NSC42759
    • NSC-42759
    • DTXSID00883239
    • FT-0605190
    • NS00043543
    • 1,1,1-trifluoro-2-octyl alcohol
    • 1-(Trifluoromethyl)heptan-1-ol
    • AKOS009159476
    • MFCD00069163
    • SB47078
    • 2-Octanol, 1,1,1-trifluoro-
    • Inchi： 1S/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3
    • InChI Key： INAIBHXNHIEDAM-UHFFFAOYSA-N
    • SMILES： FC(C(CCCCCC)O)(F)F

Computed Properties

  • Exact Mass: 184.10755
  • Monoisotopic Mass: 184.107
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 111
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.05?g/mL?at 25?°C(lit.)
  • Boiling Point: 170?°C(lit.)
  • Flash Point: 164?°F
  • Refractive Index: n20/D 1.384(lit.)
  • PSA: 20.23

2-Octanol,1,1,1-trifluoro- Security Information

  • Hazard Statement： Irritant
  • WGK Germany：3
  • Safety Instruction： 23-24/25
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • TSCA：T

2-Octanol,1,1,1-trifluoro- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
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1,1,1-Trifluorooctan-2-ol
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 ￡195.00 2025-02-21
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1581837-250mg
1,1,1-Trifluorooctan-2-ol
 453-43-0 98%
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