2,2,3,3,4,4,5,5-octafluoropentan-1-ol

• ChemBase ID: 98333
• Molecular Formular: C5H4F8O
• Molecular Mass: 232.0718856
• Monoisotopic Mass: 232.01344051
• SMILES: OCC(C(F)(F)C(F)(F)C(F)F)(F)F
• Canonical SMILES: OCC(C(C(C(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
• InChIKey: JUGSKHLZINSXPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluoropentan-1-ol
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluoropentan-1-ol
• Synonyms: 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol; 1H,1H,5H-Perfluoro-1-pentanol; 2,2,3,3,4,4,5,5-Octafluoropentan-1-ol; 1H,1H,5H-Perfluoropentan-1-ol 98%; 1,1,5-TRIHYDROPER FLUORO PENTANOL; 2,2,3,3,4,4,5,5-八氟-1-戊醇

Database IDs

• CAS Number: 355-80-6
• EC Number: 206-593-4
• MDL Number: MFCD00039631
• Beilstein Number: 1773494
• Merck Index: 146746
• PubChem SID: 162084777; 24856328
• PubChem CID: 9641

CALCULATED PROPERTIES

• Acid pKa: 12.621109
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0496867
• LogD (pH = 7.4): 2.0496843
• Log P: 2.049687
• Molar Refractivity: 26.8257 cm^3
• Polarizability: 10.584523 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-50°C
• Boiling Point: 140-141°C; 141-142 °C(lit.); 141-142°C
• Flash Point: 168.8 °F; 75°C; 75°C(167°F); 76 °C
• Density: 1.667; 1.667 g/mL at 25 °C(lit.)
• Refractive Index: 1.318; 1.3180; n20/D 1.318(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: SA7650000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: F2CH(CF2)3CH2OH

DETAILS

MP Biomedicals - 05216443

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC5350

Surface tension 24.5 dynes/cm/200C;Dissociation constant 4.5 x 10-12

Sigma Aldrich - 269433

Packaging
100 g in poly bottle