PMID- 21688793 OWN - NLM STAT- MEDLINE DCOM- 20120123 LR - 20131121 IS - 1520-5851 (Electronic) IS - 0013-936X (Linking) VI - 45 IP - 19 DP - 2011 Oct 1 TI - Perfluorinated carboxylic acids in directly fluorinated high-density polyethylene material. PG - 8053-9 LID - 10.1021/es1043968 [doi] AB - Perfluorinated carboxylic acids (PFCAs) are ubiquitous in the environment and have been detected in human blood worldwide. One potential route is direct exposure to PFCAs through contact with polymers that have been fluorinated through a process referred to as direct fluorination. PFCAs are hypothesized to be reaction byproducts of direct fluorination when trace amounts of oxygen are present. The objective of this research was to investigate whether PFCAs could be measured in directly fluorinated high-density polyethylene (HDPE) bottles. PFCAs were quantified using Soxhlet extraction with methanol, followed by LC-MS/MS analysis. Total concentrations of PFCAs ranged from 8.5 +/- 0.53 to 113 +/- 2.5 ng/bottle (1 L), with the short-chain PFCAs, perfluoropropanoic, perfluorobutanoic, perfluoropentanoic, and perfluorohexanoic acids, being the dominant congeners observed. Relative PFCA concentrations varied depending on fluorination level. Structural isomers were detected using (19)F NMR and are hypothesized to have formed during the fluorination process; NMR data revealed the linear isomer typically comprised 55% of the examined sample. Internally branched, isopropyl branched, and t-butyl PFCA isomers of varying chain length were also identified. Electrochemical fluorination was previously thought to be the only source of branched PFCA isomers. The observation here of branched isomers suggests direct fluorination may be an additional source of exposure to these chemicals. The purpose of this study was to measure PFCAs in directly fluorinated material, serving as a previously unidentified source contributing to the environmental load of PFCAs, with potential for human exposure. FAU - Rand, Amy A AU - Rand AA AD - Department of Chemistry, University of Toronto , 80 St. George Street, Toronto, Ontario M5S 3H6, Canada. FAU - Mabury, Scott A AU - Mabury SA LA - eng PT - Journal Article DEP - 20110620 PL - United States TA - Environ Sci Technol JT - Environmental science & technology JID - 0213155 RN - 0 (Carboxylic Acids) RN - 0 (Fluorocarbons) RN - 059QF0KO0R (Water) RN - 9002-88-4 (Polyethylene) SB - IM MH - Carboxylic Acids/*analysis MH - Fluorocarbons/*analysis MH - *Halogenation MH - Humans MH - Magnetic Resonance Spectroscopy MH - Polyethylene/*chemistry MH - Spectrophotometry, Infrared MH - Water/chemistry EDAT- 2011/06/22 06:00 MHDA- 2012/01/24 06:00 CRDT- 2011/06/22 06:00 PHST- 2011/06/22 06:00 [entrez] PHST- 2011/06/22 06:00 [pubmed] PHST- 2012/01/24 06:00 [medline] AID - 10.1021/es1043968 [doi] PST - ppublish SO - Environ Sci Technol. 2011 Oct 1;45(19):8053-9. doi: 10.1021/es1043968. Epub 2011 Jun 20.