Perfluoroisohexane
Basic information
- CAS
355-04-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
ROVMKEZVKFJNBD-UHFFFAOYSA-N- Molecular formula
- CF3CF(CF3)CF2CF2CF3
- Average molar mass
- 338.04 g/mol
- Monoisotopic mass
- 337.9776443
Names & identifiers
- Preferred name
- Perfluoroisohexane
- IUPAC
- 1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)pentane
- English name
- Perfluoro-2-methylpentane
- Molecular formula
- C6F14
- Molecular weight
- 338.04
Names & synonyms
PerfluoroisohexanePerfluoro(2-methylpentane)1,1,1,2,2,3,3,4,5,5,5-Undecafluoro-4-(trifluoromethyl)pentaneTetradecafluoro-2-methylpentane2-PerfluoromethylpentaneFLUTEC PC-1EINECS 206-575-6UNII-698P33664Y698P33664YUNDECAFLUORO-2-(TRIFLUOROMETHYL)PENTANEDTXSID40188992EC 206-575-6
Show more names
C6F14FC-5114mmyc-2Pentane, 1,1,1,2,2,3,3,4,5,5Perfluoro(2-methylpentane)97%2-(Trifluoromethyl)undecafluoropentane
RefChem:171664PERFLUOROISOHEXANE [INCI]DTXCID00111483ROVMKEZVKFJNBD-UHFFFAOYSA-N355-04-4Perfluoro-2-methylpentaneMFCD00059905Pentane, 1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)-
Database identifiers
- CAS
355-04-4- PubChem CID
- 67726
- DTXSID
DTXSID40188992- UNII
- 698P33664Y
- EC Number
- 206-575-6
- Nikkaji
- J38H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other Nonpolymers
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Other/unspecified
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -150 °C · <-150°C
- Boiling point
- 58 °C · 58°C
- Density
- 1 · 1,723 g/cm3
- vapor pressure
- 29 kPa · 29kPa at 25℃
- refractive index
- 1.3 · <1.3000
- form
- liquid
- color
- Clear
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
- InChI
- InChI=1S/C14H10F12O3S/c1-7-2-4-8(5-3-7)30(27,28)29-6-10(17,18)12(21,22)14(25,26)13(23,24)11(19,20)9(15)16/h2-5,9H,6H2,1H3
- InChIKey
- ROVMKEZVKFJNBD-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
- LogP
- 5.02 at · 5.02 at 25℃
- CAS DataBase Reference
- 355 · 355-04-4(CAS DataBase Reference)
- FDA UNII
- 698 P33664Y · 698P33664Y
- EPA Substance Registry System
- Perfluoroisohexane (355-04-4)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HS Code
- 2914199090 · 2914199090
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
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 50% (2 of 4) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)pentane (EC: 206-575-6)
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2914199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Electronic Industry -> Testing of electronic devices and equipment
• Heat transfer fluid in organic Rankine engines [Ref: http://www.f2chemicals.com/full_range.html]
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
DescriptionPerfluoroisohexane is the halocarbon.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…