title: Determination of (4-methylcyclohexyl)methanol isomers by heated purge-and-trap GC/MS in water samples from the 2014 Elk River, West Virginia, chemical spill.
abstract: A heated purge-and-trap gas chromatography/mass spectrometry method was used to determine the cis- and trans-isomers of (4-methylcyclohexyl)methanol (4-MCHM), the reported major component of the Crude MCHM/Dowanol™ PPh glycol ether material spilled into the Elk River upriver from Charleston, West Virginia, on January 9, 2014. The trans-isomer eluted first and method detection limits were 0.16-μg L(-1)trans-, 0.28-μg L(-1)cis-, and 0.4-μg L(-1) Total (total response of isomers) 4-MCHM. Estimated concentrations in the spill source material were 491-g L(-1)trans- and 277-g L(-1)cis-4-MCHM, the sum constituting 84% of the source material assuming its density equaled 4-MCHM. Elk River samples collected⩽3.2 km downriver from the spill on January 15 had low (⩽2.9 μg L(-1) Total) 4-MCHM concentrations, whereas the isomers were not detected in samples collected 2 d earlier at the same sites. Similar 4-MCHM concentrations (range 4.2-5.5 μg L(-1) Total) occurred for samples of the Ohio River at Louisville, Kentucky, on January 17, ∼630 km downriver from the spill. Total 4-MCHM concentrations in Charleston, WV, office tap water decreased from 129 μg L(-1) on January 27 to 2.2 μg L(-1) on February 3, but remained detectable in tap samples through final collection on February 25 indicating some persistence of 4-MCHM within the water distribution system. One isomer of methyl 4-methylcyclohexanecarboxylate was detected in all Ohio River and tap water samples, and both isomers were detected in the source material spilled.
authors.affiliation: U.S. Geological Survey, National Water Quality Laboratory, PO Box 25585, Denver, CO 80225, USA. Electronic address: wforeman@usgs.gov.
authors.forename: William T
authors.initials: WT
authors.lastname: Foreman
authors.affiliation: U.S. Geological Survey, National Water Quality Laboratory, PO Box 25585, Denver, CO 80225, USA. Electronic address: dlrose@usgs.gov.
authors.forename: Donna L
authors.initials: DL
authors.lastname: Rose
authors.affiliation: U.S. Geological Survey, 1027 Virginia Street, Charleston, WV 25301, USA. Electronic address: dbchambe@usgs.gov.
authors.forename: Douglas B
authors.initials: DB
authors.lastname: Chambers
authors.affiliation: U.S. Geological Survey, 9818 Bluegrass Parkway, Louisville, KY 40299, USA. Electronic address: ascrain@usgs.gov.
authors.forename: Angela S
authors.initials: AS
authors.lastname: Crain
authors.affiliation: U.S. Geological Survey, National Water Quality Laboratory, PO Box 25585, Denver, CO 80225, USA. Electronic address: lmurtagh@usgs.gov.
authors.forename: Lucinda K
authors.initials: LK
authors.lastname: Murtagh
authors.affiliation: C. Eugene Bennett Department of Chemistry, West Virginia University, Morgantown, WV 26506, USA. Electronic address: hanuman1hari@gmail.com.
authors.forename: Haresh
authors.initials: H
authors.lastname: Thakellapalli
authors.affiliation: C. Eugene Bennett Department of Chemistry, West Virginia University, Morgantown, WV 26506, USA. Electronic address: kwang@wvu.edu.
authors.forename: Kung K
authors.initials: KK
authors.lastname: Wang
mesh_terms: D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D007536:Isomerism; D000432:Methanol / Q000737:chemistry*; D045483:Rivers / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis*; D014903:West Virginia
chemical_list: D014874:Water Pollutants, Chemical; D000432:Methanol
keywords: Chemical spill; Contamination; GC/MS; Isomer; Methylcychlohexane methanol; Water