3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl 2-methylprop-2-enoate

• ChemBase ID: 98790
• Molecular Formular: C15H9F19O2
• Molecular Mass: 582.2004208
• Monoisotopic Mass: 582.02991571
• SMILES: FC(C(F)(C(C(C(C(CCOC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(F)C(F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C15H9F19O2/c1-5(2)6(35)36-4-3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h1,3-4H2,2H3
• InChIKey: KTPONRIHDUNNPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl 2-methylprop-2-enoate
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl 2-methylprop-2-enoate
• Synonyms: 2-(Perfluoro-7-methyloctyl)ethylmethacrylate 97%; 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Hexadecafluoro-9-(trifluoromethyl)decyl methacrylate; 1H,1H,2H,2H-全氟-9-甲基癸烷羟丙酯

Database IDs

• CAS Number: 15166-00-4
• EC Number: 239-221-4
• MDL Number: MFCD00236100
• PubChem SID: 24870983; 162085155
• PubChem CID: 84812

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.8766026
• LogD (pH = 7.4): 7.8766026
• Log P: 7.8766026
• Molar Refractivity: 73.9376 cm^3
• Polarizability: 28.429441 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 116 °C/6 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.629; 1.629 g/mL at 25 °C(lit.)
• Refractive Index: 1.343; n20/D 1.345(lit.)

Safety Information

• Storage Warning: Flammable/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: 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%
• Contains: 0.01% 4-tert-butylcatechol as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CH2(CF2)6CF(CF3)2