2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoroctan-1-ol

(Perfluoroheptyl)methanol

HCID 67543

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Grundinformationen

CAS: 307-30-2
Standard-SMILES: OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: PJDOLCGOTSNFJM-UHFFFAOYSA-N
Summenformel: C7F15CH2OH
Durchschnittliche Molmasse: 400,08 g/mol
Monoisotopische Masse: 399,99443802

Namen und Bezeichner

Bevorzugter Name: (Perfluoroheptyl)methanol
IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol
Lokaler Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoroctan-1-ol
Englischer Name: 1H,1H-PENTADECAFLUORO-1-OCTANOL
Summenformel: C8H3F15O
Molmasse: 400.08

Namen und Synonyme

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctan-1-ol(perfluoroheptyl)methanol(pentadecafluoroheptyl)methanol1h,1h-perfluorooctanol1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1,1-dihydroperfluorooctanol9X5W7FQ62R1,1-DIHYDROPENTADECAFLUOROOCTANOLPENTADECAFLUORO-1,1-DIHYDROOCTANOL1,1-DIHYDROPENTADECAFLUOROOCTAN-1-OL.ALPHA.,.ALPHA.-DIHYDROPERFLUOROOCTANOLRefChem:406820

Weitere Namen anzeigen

PERFLUOROOCTANOL1,1H-perfluorooctanolDIHYDROPERFLUOROOCTANOL(Perfluoroheptyl)carbinol1H,1H-PERFLUOROOCTANE-1-OL

ALPHA,ALPHA-DIHYDROPERFLUOROOCTANOL1H,1H-Pentadecafluoro-1-octanol307-30-21H,1H-Perfluoro-1-octanol1h,1h-perfluorooctan-1-ol2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanolMFCD00004675Pentadecafluorooctyl alcohol

Datenbank-Bezeichner

CAS: 307-30-2
PubChem CID: 67543
DTXSID: DTXSID5059793
UNII: 9X5W7FQ62R
EC Number: 206-197-1
Nikkaji: J193.718I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 16
Frei drehbare Bindungen: 6
Schwere Atome: 24
Formalladung: 0
Komplexität: 461

Experimentelle und physikochemische Eigenschaften

PFAS · 6 Einträge

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> Fluorotelomer based substances

PFAS -> F-telomer alcohols (FTOH)

PFAS -> Other/unspecified

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-47 °C(lit.)
Siedepunkt: 163 · 163-165 °C(lit.)
Dichte: 1 · 1,338 g/cm3
Brechungsindex: 1.3084 · 1.3084
Flammpunkt: 110 °C · >110°C
storage temp.: Store at room temperature
Löslichkeit: almost transparency in Methanol
Aggregatzustand: Crystalline Mass
pka: 12.86 · 12.86±0.10(Predicted)
Farbe: White
BRN: 1716494 · 1716494
Henry's Law Constant: 2.3 · 2.3×10-4 mol/(m3Pa) at 25℃, I. et al. (1999)
InChI: InChI=1S/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2
InChIKey: PJDOLCGOTSNFJM-UHFFFAOYSA-N
SMILES: C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
CAS Datenbank: 307 · 307-30-2(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- (307-30-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.8%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29055900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1