(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)oxirane

HCID 571982
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
38565-53-6
Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
InChIKey
HMXSIEIEXLGIET-UHFFFAOYSA-N
Molecular formula
C8F17CH2C2OH3
Average molar mass
476.13 g/mol
Monoisotopic mass
476.00689452

Names & identifiers

Preferred name
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)oxirane
IUPAC
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane
English name
3-(Perfluoro-n-octyl)propenoxide
Molecular formula
C11H5F17O
Molecular weight
476.13

Names & synonyms

2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)oxirane(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)oxiraneEINECS 254-006-5RefChem:394335254-006-538565-53-63-(Perfluoro-n-octyl)propenoxide3-Perfluorooctyl-1,2-epoxypropane3-(perfluorooctyl)-1,2-propenoxide(1h,1h-perfluorononyl)oxiraneMFCD000423621,2-Epoxy-1H,1H,2H,3H,3H-heptadecafluoroundecane
Show more names
3HT8-EPDAIKIN E-1830PerfluorooctylpropyleneoxidePerfluorooctyl propyl epoxide3-(Perfluorooctyl)propyl epoxide3-Perfluoroalkyl-1,3-Epoxypropane
3-(perfluorooctyl)-1,2-epoxypropaneSCHEMBL191770DTXSID50880415AKOS005254607FE60525FS-41653-(perfluoro-n-octyl)-1,2-propenoxideNS00011209

Database identifiers

CAS
38565-53-6
PubChem CID
571982
DTXSID
DTXSID50880415
EC Number
254-006-5
Nikkaji
J294.701C

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
18
Rotatable bonds
8
Heavy atoms
29

Experimental & physicochemical properties

PFAS · 6 items

PFAS -> non-polymer

PFAS -> Fluorotelomer based substances

PFAS -> Other/unspecified

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Other/unspecified

Physicochemical properties

Melting point
76 · 76-78 °C
Boiling point
87 °C/19 · 87 °C/19 mmHg (lit.)
Density
1.712 g/mL · 1.712 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.32(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · Storage temp. 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H332 (20%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (20%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
hs_code
29109000
Signal word
Danger
Symbol(GHS)
GHS05,GHS07,GHS08
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

Uses · 2 items

non-polymer PFAS -> Optical Devices -> Resin composition for optical materials (e.g. optical fibers)

• Resin composition for optical fibers [Ref: CAS2019 (JP2002212261)]

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

Applications

Uses3-(Perfluorooctyl)-1,2-propenoxide is a fluorinated epoxide with antibacterial properties.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北科孚乐材料科技有限公司027-84459282 13720265353 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Related reactions

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Compound notes

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