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406457

Sigma-Aldrich

Methyl perfluorooctanoate

98%

Synonym(s):

Methyl pentadecafluorooctanoate

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About This Item

Linear Formula:
CF3(CF2)6CO2CH3
CAS Number:
376-27-2
Molecular Weight:
428.09
EC Number:
206-808-1
MDL number:
MFCD00039244
UNSPSC Code:
12352100
PubChem Substance ID:
24865377
NACRES:
NA.22

Quality Level

100

Assay

98%

form

liquid

refractive index

n20/D 1.305 (lit.)

bp

159-160 °C (lit.)

density

1.786 g/mL at 25 °C (lit.)

SMILES string

COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3

InChI key

XOCNYZFAMHDXJK-UHFFFAOYSA-N

General description

Methyl perfluorooctanoate (MePFOA) is reported to be formed during storage of perfluorooctanoic acid (PFOA) in methanol. Its physical properties like density, boiling point and refractive index have been determined experimentally.

Application

Methyl perfluorooctanoate may be employed in the following studies:
  • Synthesis of monodisperse perfluoroalkyl N-polyethoxylated amides, potential nonionic fluorinated surfactants.
  • To investigate the mutual solubility curves of fluorocarbon-hydrocarbon systems.
  • Synthesis of fluorine-containing monomer, N-(5-hydroxypent-1-yl)perfluorooctaneamide.
  • To investigate the vinyl ether formulations for use in step and flash imprint lithography.
  • Preparation of 2-chloro-1,1-dicyano-2-(perfluoroheptyl)ethylene, a precursor for synthesizing perfluorocarbon-soluble dyes.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Dam. 1 - Lact. - Repr. 1B - STOT RE 1

Target Organs

Liver

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

150.8 °F - closed cup

Flash Point(C)

66 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW3587
MKCS7280
MKCL2205
MKCC9296
13202TC

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Free energy relations in fluorocarbon-hydrocarbon systems.
Kyle BG and Reed III TM.
Journal of the American Chemical Society, 80(23), 6170-6177 (1958)
Syntheses of perfluoroalkyl N-polyethoxylated amides.
Afzal J, et al.
Journal of Fluorine Chemistry, 34(3), 385-393 (1987)
(α-Perfluoroheptyl-β,β-dicyanovinyl) aminostyrenes: A novel class of perfluorocarbon-soluble dyes.
Freed BK and Middleton WJ.
Journal of Fluorine Chemistry, 47(2), 219-225 (1990)
Vinyl ether formulations for step and flash imprint lithography.
Kim E K, et al.
J. Vac. Sci. Technol. B, 23(6), 2967-2971 (2005)
Influence of perfluoroheptylcarbonylamino end groups on the surface properties of semi-crystalline poly (butylene isophthalate) polyesters.
Synytska A, et al.
Polymer Preprints (American Chemical Society, Division of Polymer Chemistry), 47(2), 534-534 (2006)
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