ChemicalBook--->CAS DataBase List--->133331-77-8

133331-77-8

133331-77-8 Structure

133331-77-8 Structure
IdentificationBack Directory
[Name]

1-(PERFLUOROHEXYL)OCTANE
[CAS]

133331-77-8
[Synonyms]

T6-octane
Perfluorohexyl Octane
1-(PERFLUOROHEXYL)OCTANE
1-(Perfluorohexyl)octane 97%
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradecane
Tetradecane,1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradecane, 1-(Tridecafluorohex-1-yl)octane
[EINECS(EC#)]

432-570-5
[Molecular Formula]

C14H17F13
[MDL Number]

MFCD07784188
[MOL File]

133331-77-8.mol
[Molecular Weight]

432.26
Chemical PropertiesBack Directory
[Melting point ]

4.96 °C
[Boiling point ]

340 °C
[density ]

1.331 g/cm3(Temp: 25 °C)
[vapor pressure ]

3.857Pa at 25℃
[refractive index ]

1.33 @ 25 °C
[Fp ]

> 80 °C
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

Ethanol: Sparingly soluble: 1-10 mg/mL
[form ]

liquid
[color ]

Clear
[Water Solubility ]

0.992ng/L at 25℃
[Henry's Law Constant]

6.4×10-7 mol/(m3Pa) at 25℃, Plassmann et al. (2010)
[InChI]

InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3
[InChIKey]

WRYIIOKOQSICTB-UHFFFAOYSA-N
[SMILES]

C(F)(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCC
[LogP]

10.01 at 25℃
[Surface tension]

19.65mN/m at 298.15K
[EPA Substance Registry System]

1-(Perfluorohexyl)octane (133331-77-8)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302;H315;H319;H335
[Precautionary statements ]

P261;P305+P351+P338
[Hazard Codes ]

Xi
[REACH Registrations]

Active
[HS Code ]

2903499090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Perfluoro-1-iodohexane-->1-Octene-->Triethylamine-->4CzIPN
Hazard InformationBack Directory
[Uses]

1-(Perfluorohexyl)octane is used in preparation of Fluoroalkane by reduction of Halofluoroalkane in presence of precious metal catalyst and inorganic compound.
[Definition]

ChEBI: Perfluorohexyloctane is a fluoroalkane that is tetradecane in which all of the hydrogen atoms at positions 1, 2, 3, 4, 5, and 6 have been replaced by fluorine atoms. It is an ophthalmic solution used to treat the signs and symptoms of dry eye disease. It has a role as an ophthalmology drug and a nonionic surfactant. It is a fluorohydrocarbon and a fluoroalkane. It derives from a hydride of a tetradecane.
[Flammability and Explosibility]

Nonflammable
[Synthesis]

Add 200g of perfluorohexyl iodomethane, 251.6g of 1-octene (5.0eq), 400ml of acetonitrile, 10g of triphenylsilyl mercaptan (catalytic amount) to 1000ml triple-necked vials, dropwise add 91.2g of triethylamine, dropwise add 10g of 2 ,4 ,5 ,6-tetrakis(9 - C
[References]

[1] PRIYANKA AGARWAL . Semifluorinated alkane based systems for enhanced corneal penetration of poorly soluble drugs[J]. International Journal of Pharmaceutics, 2018, 538 1: Pages 119-129. DOI: 10.1016/j.ijpharm.2018.01.019
[2] PRIYANKA AGARWAL . Preclinical studies evaluating the effect of semifluorinated alkanes on ocular surface and tear fluid dynamics[J]. Ocular Surface, 2019, 17 2: Pages 241-249. DOI: 10.1016/j.jtos.2019.02.010
Spectrum DetailBack Directory
[Spectrum Detail]

1-(PERFLUOROHEXYL)OCTANE(133331-77-8)1HNMR
1-(PERFLUOROHEXYL)OCTANE(133331-77-8)13CNMR
1-(PERFLUOROHEXYL)OCTANE(133331-77-8)FT-IR
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