1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctane

HCID 101652CAS 335-65-9

Substructure search Find similar structures

Basic information

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 properties

XLogP: 6.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 17
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 481

Experimental & physicochemical properties

PFAS · 4 items

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
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 2810 · 2810
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29033990 · 29033990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362