2,2,3,3,4,4,5,5-octafluoropentyl 2-methylprop-2-enoate

• ChemBase ID: 7717
• Molecular Formular: C9H8F8O2
• Molecular Mass: 300.1458456
• Monoisotopic Mass: 300.03965526
• SMILES: O(CC(C(C(C(F)F)(F)F)(F)F)(F)F)C(=O)C(=C)C
• Canonical SMILES: FC(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C9H8F8O2/c1-4(2)5(18)19-3-7(12,13)9(16,17)8(14,15)6(10)11/h6H,1,3H2,2H3
• InChIKey: ZNJXRXXJPIFFAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylprop-2-enoate
• Synonyms: Methacrylic acid 2,2,3,3,4,4,5,5-octafluoropentyl ester; 1H,1H,5H-Perfluoro-1-pentyl methacrylate; OFPMA; 2,2,3,3,4,4,5,5-Octafluoropentyl methacrylate; 1H,1H,5H-Octafluoropentyl methacrylate 98%; 1H,1H,5H-Octafluoropentyl methacrylate; 2,2,3,3,4,4,5,5-八氟戊基甲基丙烯酸酯; 甲基丙烯酸八氟戊酯

Database IDs

• CAS Number: 355-93-1
• EC Number: 206-596-0
• MDL Number: MFCD00039278
• Beilstein Number: 1801409
• PubChem SID: 160971024; 24870693
• PubChem CID: 67739

CALCULATED PROPERTIES

• Acid pKa: 19.789541
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.875989
• LogD (pH = 7.4): 3.875989
• Log P: 3.875989
• Molar Refractivity: 44.982 cm^3
• Polarizability: 17.28338 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 178-179°C; 178-179°C; 80°C/23mm; 88 °C/40 mmHg(lit.)
• Flash Point: 177.8 °F; 81 °C; 81°C; 81°C(177°F)
• Density: 1.432; 1.432 g/mL at 25 °C(lit.); 1.50
• Refractive Index: 1.355; 1.358; 1.3600; n20/D 1.358(lit.)

Safety Information

• Storage Warning: IRRITANT, KEEP COLD; Irritant/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37; 26-36
• TSCA Listed: false; 否
• 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: 97%; 98%; 98%, stab.
• Contains: 100 ppm 4-tert-butylcatechol as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2(CF2)4H

DETAILS

Apollo Scientific Ltd - PC5353

Inhibited with 50ppm MEHQ

Sigma Aldrich - 470988

Packaging
25 mL in poly bottle