1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctane
Completing data — refresh the page later to see the latest
Basic information
- CAS
335-65-9- Standard SMILES
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
KBHBUUBXEQUIMV-UHFFFAOYSA-N- Molecular formula
- C8HF17
- Average molar mass
- 420.07 g/mol
- Monoisotopic mass
- 419.98067977
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane
- English name
- 1H-Perfluorooctane
- Molecular formula
- C8HF17
- Molecular weight
- 420.07
Names & synonyms
335-65-91,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-HeptadecafluorooctaneEINECS 206-395-8RefChem:409340206-395-81H-Perfluorooctane8H-PerfluorooctaneMFCD00042109C8HF171H-Perfluorooctane, 99%SCHEMBL64077SCHEMBL106857
Show more names
IH-Perfluorooctanehydroperfluorooctane1H-Perfluorooctane98%1-Hydroperfluorooctane1H-Perfluorooctane 98%8-acetyl-3-phenothiazinone1H-Heptadecafluorooctane96%1H-Heptadecafluoro-n-octane
C8F17HDTXSID00187143MSK181144AKOS015907812FS-4275NS00002435H85852F007123
Database identifiers
- CAS
335-65-9- PubChem CID
- 101652
- DTXSID
DTXSID00187143- EC Number
- 206-395-8
- Nikkaji
- J193.773A
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS
Physicochemical properties
- Boiling point
- 118 °C · 118 °C(lit.)
- Density
- 1.758 g/mL · 1.758 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.300(lit.)
- Flash point
- 230 °F · >230 °F
- InChI
- InChI=1S/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H
- InChIKey
- KBHBUUBXEQUIMV-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
- CAS DataBase Reference
- 335 · 335-65-9(CAS DataBase Reference)
- EPA Substance Registry System
- 8 H-Perfluorooctane · 8H-Perfluorooctane (335-65-9)
- UNSPSC Code
- 12352100 · 12352100
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
Warning
H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29033990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H335-H319
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
Loading…