Table 1. Compounds Identified from AMDIS Spectra against Chemical Libraries during Ambient Exposuresa.
| groups | compounds | CAS | log Kow | no. of WBs | possible use or occurrence |
|---|---|---|---|---|---|
| PAHs | 1-methylnaphthalene | 90–12–0 | 3.87 | 16 | compounds from petrogenic and pyrogenic sources |
| anthracene | 120–12–7 | 4.45 | 6 | compounds from petrogenic and pyrogenic sources | |
| fluorene | 86–73–7 | 4.18a | 5 | compounds from petrogenic and pyrogenic sources | |
| 1,6-dimethylnaphthalene | 575–43–9 | 4.26a | 4 | compounds from petrogenic and pyrogenic sources | |
| 1-methylphenanthrene | 832–69–9 | 5.08a | 3 | compounds from petrogenic and pyrogenic sources | |
| 1,2-dimethylnaphthalene | 573–98–8 | 4.31a | 2 | compounds from petrogenic and pyrogenic sources | |
| acenaphthylene | 208–96–8 | 4.07 | 1 | compounds from petrogenic and pyrogenic sources | |
| pyrene | 129–00–0 | 4.88 | 1 | compounds from petrogenic and pyrogenic sources | |
| retene | 483–65–8 | 6.35a | 1 | compounds from petrogenic and pyrogenic sources | |
| consumer products | tonalide | 1506–02–1 | 5.70 | 20 | fragrance in cosmetics, detergents, fabric softeners, household cleaning products |
| carvone | 99–49–0 | 3.07a | 14 | oil of caraway seeds, used in perfumes, soaps | |
| triclosan | 3380–34–5 | 4.76 | 9 | active agent in deodorants and antiseptic products | |
| caffeine | 58–08–2 | –0.07 | 6 | common component of coffee, sodas, and other beverages | |
| nicotine | 54–11–5 | 1.17 | 4 | active ingredient in tobacco products | |
| eugenol | 97–53–0 | 2.49 | 4 | clove perfumes, essential oils, dental medicine (analgesic) | |
| celestolide | 13171–00–1 | 5.93(est)b | 2 | musk fragrance in cosmetics or perfumesa | |
| musk ketone | 81–14–1 | 4.30 | 1 | fragrance in cosmetics, perfumes | |
| phantolide | 15323–35–0 | 5.85(est)b | 1 | musk fragrancea | |
| phthalimide | 85–41–6 | 1.15 | 1 | used in dyes, fungicide | |
| pesticides | benzyl benzoate | 120–51–4 | 3.97 | 18 | acaricide and Insecticide |
| N,N-diethyl-m-toluamide | 134–62–3 | 2.02 | 11 | insect and acarid repellant used for households and domestic purposes (DEET) | |
| promecarb artifact | 3228–03–3 | 3.52(est)b | 6 | possible metabolite of a nonsystemic contact insecticide | |
| methoprene | 40596–69–8 | 5.50 | 5 | broad spectrum insecticide | |
| fipronil | 120068–37–3 | 4.00 | 3 | insecticide designed for pet use targeting fleas and ticks | |
| fipronil-sulfone | 120068–36–2 | 4.42(est)b | 2 | metabolite of fipronilc | |
| fipronil, desulfinyl- | 111246–15–2 | 4.22(est)b | 1 | photodegredate of fipronilc | |
| trifluralin | 1582–09–8 | 5.34 | 1 | pre-emergent herbicide | |
| phthalates | diethyl phthalate | 84–66–2 | 2.47 | 23 | vehicle for fragrances and cosmetics |
| butyl benzyl phthalate | 85–68–7 | 4.73 | 19 | plasticizer for floor tile, foams, carpet backing | |
| di-n-octyl phthalate | 117–84–0 | 8.10 | 11 | plasticizer for cellulose and vinyl resins | |
| di-n-hexyl phthalate | 84–75–3 | 6.82 | 9 | used in making plastisols, which are used for dip-molded plastics and automobile parts | |
| dicyclohexyl phthalate | 84–61–7 | 6.20 (est) | 6 | plasticizer for cellulose, chlorinated rubber, and other polymers | |
| dimethylphthalate | 131–11–3 | 1.60 | 5 | plasticizer for cellulose and vinyl resins | |
| industrial compounds | benzophenone | 119–61–9 | 3.18 | 19 | used in paints, cosmetics, pesticides, pharmaceuticals, and as a fragrance enhancer |
| triphenyl phosphate | 115–86–6 | 4.59 | 15 | fire retardant in cellulose products, roofing paper, plasticizer in lacquers and varnishes | |
| tris(2-butoxyethyl) phosphate | 78–51–3 | 3.75 | 4 | plasticizer in rubber gaskets and floor care products | |
| tributyl phosphate | 126–73–8 | 4.00 | 5 | a fire retardant, plasticizer, antifoaming agent, also found in hydraulic fluid | |
| 2-methylphenol | 95–48–7 | 1.95 | 4 | a solvent, disinfectant, and/or chemical intermediate in several industries | |
| tris(2-chloroethyl) phosphate | 115–96–8 | 1.44 | 3 | flame-retardant plasticizer in vinyl resins, used in carpet backing or upholstery | |
| tris(2-ethylhexyl) phosphate | 78–42–2 | 9.49a | 3 | flame-retardant plasticizer in vinyl resins, and antifoaming agent | |
| o-tricresylphosphate | 78–30–8 | 6.34 | 2 | flame-retardant plasticizer in lacquers, varnishes, vinyl resins, coatings, and adhesives | |
| triethylphosphate | 78–40–0 | 0.80 | 2 | as a solvent/plasticizer in cellulose gums, a component of resins and plastics | |
| o-phenylphenol | 90–43–7 | 3.09 | 2 | a citrus fungicide, lumber disinfectant, preservative and sanitizing agent | |
| m-cresol | 108–39–4 | 1.96 | 2 | in synthetic resins, disinfectants, fumigants, photographic developers, explosives | |
| p-tricresylphosphate | 78–32–0 | 6.34 | 1 | in cellulose, vinyl and rubber products, also a sterilizing agent for surgical instruments | |
| 2,4-dimethylphenol | 105–67–9 | 2.30 | 1 | used as an disinfectant, fungicide, sanitizer, and virucide in agriculture and/or hospitals | |
| 4-methylphenol | 106–44–5 | 1.94 | 1 | used in resins, petroleum, photography, paints, and as a disinfectant and fumigant | |
a
Unless otherwise noted, log Kow and compound occurrence information was acquired from the Hazardous Substances Data Bank by the National Library of Medicine. Abbreviations: WBs, wristbands; est, estimated values.
a
National Library of Medicine, (NLM 1993).
b
Estimated from EpiSuite EPA (EPIWEB 4.1).
c
National Pesticide Information Center, (NPIC 2009).