1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-
Basic information
- CAS
2043-47-2- Standard SMILES
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
JCMNMOBHVPONLD-UHFFFAOYSA-N- Molecular formula
- C4F9CH2CH2OH
- Average molar mass
- 264.09 g/mol
- Monoisotopic mass
- 264.01966824
Names & identifiers
- Preferred name
- 1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-
- IUPAC
- 3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol
- English name
- 1H,1H,2H,2H-Perfluorohexan-1-ol
- Molecular formula
- C6H5F9O
- Molecular weight
- 264.09
Names & synonyms
2043-47-21-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-2-(Perfluorobutyl)ethanol1H,1H,2H,2H-Perfluorohexanol3,3,4,4,5,5,6,6,6-Nonafluorohexanol4:2 Fluorotelomer alcoholFluorotelomer alcohol 4:21,1,2,2-Tetrahydroperfluoro-1-hexanol79Z76LN7GNDTXSID1062122RefChem:1113326218-050-9
Show more names
TEOH-4DAIKIN A-1420Perfluorohexanolperfluorobutyl ethanol2-(NonafluoroButyl)ethanolPerfluorohexanolcolorlessliq
1H,1H,2H,2H-Perfluorohexan-1-ol3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol1H,1H,2H,2H-Nonafluoro-1-hexanolMFCD000395433,3,4,4,5,5,6,6,6-NONAFLUORO-1-HEXANOL1h,1h,2h,2h-perfluoro-1-hexanolEINECS 218-050-9perfluorobutylethanol
Database identifiers
- CAS
2043-47-2- PubChem CID
- 74883
- DTXSID
DTXSID1062122- UNII
- 79Z76LN7GN
- EC Number
- 218-050-9
- Nikkaji
- J298.662K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
PFAS
PFAS -> Fluorotelomer based substances
PFAS
PFAS -> PFAS with analytical method available
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
LogP3.28
Physicochemical properties
- Boiling point
- 140 · 140-143 °C (lit.)
- Density
- 1.59 g/mL · 1.59 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.314(lit.)
- Flash point
- 164 °F · 164 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform, Methanol (Slightly)
- form
- liquid
- pka
- 14.16 · 14.16±0.10(Predicted)
- color
- colorless
- Henry's Law Constant
- 1.3 · 1.3×10-3 mol/(m3Pa) at 25℃, Abusallout et al. (2022)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- hs_code
- 29055900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Laboratory Supplies -> Impregnation spray for leather and textile
• Detected in windshield fluid [Ref: doi:10.1021/es051619]
Use Classification
PFAS -> F-telomer alcohols (FTOH)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS (n:2 fluorotelomer alcohols, n=2)
General Manufacturing Information1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-: ACTIVE
Applications
Uses1H,1H,2H,2H-Perfluorohexanol is used in the synthesis of polymer coatings with controlled surface topography. As well used in the preparation of star polymers as fluorous nanocapsules for the encapsulation and release of perfluorinated compounds.
Upstream & downstream products
Downstream products
Related reactions
6 records
Compound notes
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