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Merck
CN

43809

Perfluorohexanoic acid

analytical standard

Synonym(s):

Undecafluorohexanoic acid, PFAS, Perfluorocaproic acid, Perfluorohexanoic acid

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About This Item

Linear Formula:
CF3(CF2)4COOH
CAS Number:
307-24-4
Molecular Weight:
314.05
NACRES:
NA.24
UNSPSC Code:
41116107
Beilstein/REAXYS Number:
1805852
MDL number:
MFCD00198040

Key Documents

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SMILES string

OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)

InChI key

PXUULQAPEKKVAH-UHFFFAOYSA-N

grade

analytical standard

agency

suitable for ASTM® 7968, suitable for ASTM® 7979, suitable for DIN 38407-42, suitable for EPA 1633, suitable for EPA 533, suitable for EPA 537.1, suitable for EPA 8327, suitable for EPA ACB B21-02, suitable for EPA ACB B23-05b, suitable for EPA OTM-45, suitable for ISO 21675 2019

reg. compliance

suitable for FDA C-010.02

assay

≥98.0% (GC)

shelf life

limited shelf life, expiry date on the label

density

1.759 g/mL at 20 °C (lit.)

format

neat

storage temp.

2-8°C

Quality Level

100

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General description

Perfluorohexanoic acid belonging to the class of perfluorinated carboxylic acids (PFCAs), with a 5-carbon perfluoroalkyl chain, was developed as an alternative to the environmental pollutant, perfluorooctanoic acid (PFOA). The degradation of perfluorohexanoic acid is complex, due to the stability of the carbon-fluorine (C-F) bond. It is most commonly used as a wetting agent, corrosion inhibitor, lubricant, and foam fire extinguishant.

Application

Perfluorohexanoic acid may be used as an analytical reference standard for the determination of the analyte in the following:        
  • biological samples using high-performance liquid chromatography (HPLC) with fluorescence detection
  • dissolved/particulate phases of wastewater and sewage sludge using liquid chromatography-electrospray-tandem mass spectrometry (LC-ESI-MS/MS)        
  • whole blood samples using high-performance liquid chromatography- negative electrospray single quadrupole mass spectrometry (HPLC/ES-MS)

Legal Information

ASTM is a registered trademark of American Society for Testing and Materials

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK8335
BCCF6294
BCBZ4408

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Comparison of the toxicokinetic behavior of perfluorohexanoic acid (PFHxA) and nonafluorobutane-1-sulfonic acid (PFBS) in cynomolgus monkeys and rats
Chengelis PC, et al.
Reproductive Toxicology, 27(3-4), 400-406 (2009)
Simultaneous determination of eighteen perfluorinated compounds in dissolved and particulate phases of wastewater, and in sewage sludge by liquid chromatography-tandem mass spectrometry
Arvaniti SO, et al.
Analytical Methods : Advancing Methods and Applications, 6(5), 1341-1349 (2014)
Determination of perfluorinated carboxylic acids in biological samples by high-performance liquid chromatography
Ohya T, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 720(1-2), 1-7 (1998)
Development of a solid-phase extraction-HPLC/single quadrupole MS method for quantification of perfluorochemicals in whole blood
Karrman A, et al.
Analytical Chemistry, 77(3), 864-870 (2005)
Validation of a screening method based on liquid chromatography coupled to high-resolution mass spectrometry for analysis of perfluoroalkylated substances in biota
Berger U and Haukas M
Journal of Chromatography A, 1801(2), 210-217 (2005)
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