CAS 307-30-2 (Perfluoroheptyl)methanol (HCID 67543)

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Basic information

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
Molecular formula: C7F15CH2OH
Average molar mass: 400.08 g/mol
Monoisotopic mass: 399.99443802

Names & identifiers

Preferred name: (Perfluoroheptyl)methanol
IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol
English name: 1H,1H-PENTADECAFLUORO-1-OCTANOL
Molecular formula: C8H3F15O
Molecular weight: 400.08

Names & synonyms

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

Show more names

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

Database identifiers

CAS: 307-30-2
PubChem CID: 67543

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 16
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 461

Experimental & physicochemical properties

PFAS · 6 items

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> Fluorotelomer based substances

PFAS -> F-telomer alcohols (FTOH)

PFAS -> Other/unspecified

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 44 · 44-47 °C(lit.)
Boiling point: 163 · 163-165 °C(lit.)
Density: 1 · 1,338 g/cm3
refractive index: 1.3084 · 1.3084
Flash point: 110 °C · >110°C
storage temp.: Store at room temperature
solubility: almost transparency in Methanol
form: Crystalline Mass
pka: 12.86 · 12.86±0.10(Predicted)
color: White

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29055900
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS08
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Liver
Hazard statements: H302+H332-H318-H351-H360D-H362-H372
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1
Precautionary statements: P260-P263-P280-P304+P340+P312-P305+P351+P338-P308+P313