Identification of Unsaturated and 2H Polyfluorocarboxylate Homologous Series and Their Detection in Environmental Samples and as Polymer Degradation Products

Environ Sci Technol. 2015 Nov 17;49(22):13256-63. doi: 10.1021/acs.est.5b03379. Epub 2015 Nov 5.

Abstract

A pair of homologous series of polyfluorinated degradation products have been identified, both having structures similar to perfluorocarboxylic acids but (i) having a H substitution for F on the α carbon for 2H polyfluorocarboxylic acids (2HPFCAs) and (ii) bearing a double bond between the α-β carbons for the unsaturated PFCAs (2uPFCAs). Obtaining an authentic sample containing 2uPFOA and 2HPFOA, we optimized a mass-spectrometric multiple-reaction-monitoring (MS/MS) technique and then identified uPFCA and HPFCA homologous series in sludge-applied agricultural soils and fodder grasses for cattle grazing. Analysis of samples from a degradation experiment of commercial fluorotelomer-based polymers (FTPs), the dominant product of the fluorotelomer industry, confirmed that commercial FTPs are a potential source of uPFCAs and HPFCAs to the environment. We further confirmed the identity of the uPFCAs by imposing high-energy ionization to decarboxylate the uPFCAs then focused on the fluorinated chains in the first MS quadrupole. We also employed this high-energy ionization to decarboxylate and analyze PFCAs by MS/MS (for the first time, to our knowledge). In exploratory efforts, we report the possible detection of unsaturated perfluorooctanesulfonate in environmental samples, having a conceptual double-bond structure analogous to uPFOA. Using microcosms spiked with fluorotelomer compounds, we found 2uPFOA and 2HPFOA to be generated from unsaturated 8:2 fluorotelomer acid (8:2 FTUCA) and propose β- and α-oxidation mechanisms for generation of these compounds from 8:2 FTUCA. In light of these experimental results, we also reexamined the proposed biodegradation pathways of 8:2 fluorotelomer alcohol.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alcohols / chemistry
  • Alkanesulfonic Acids / analysis
  • Alkanesulfonic Acids / chemistry
  • Animal Feed / analysis
  • Animals
  • Biodegradation, Environmental*
  • Carbon / chemistry
  • Cattle
  • Fluorocarbons / analysis*
  • Fluorocarbons / chemistry
  • Hydrocarbons, Fluorinated / analysis
  • Hydrocarbons, Fluorinated / chemistry
  • Polymers / chemistry
  • Sewage
  • Soil / chemistry
  • Soil Pollutants / analysis*
  • Soil Pollutants / chemistry
  • Tandem Mass Spectrometry

Substances

  • Alcohols
  • Alkanesulfonic Acids
  • Fluorocarbons
  • Hydrocarbons, Fluorinated
  • Polymers
  • Sewage
  • Soil
  • Soil Pollutants
  • fluorotelomer alcohols
  • Carbon
  • perfluorooctane sulfonic acid