Table 1.
Identification of target compounds, chemical properties from EpiSuite (http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm), instrumental detection limits (DL), and comparison to NIST standard reference material (SRM) to reconstituted serum and DBS measurements.
| Group | Chemical | Chemical name | CAS No. | Formula | Properties from Episuite |
Detection Limit (ng/L) |
Certified SRM |
||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Mole. Wt. |
Log Kow (oct-water) |
Vapor Pres (mm Hg) |
NIST (1) (ng/kg) |
Serum (2) (ng/kg) |
DBS (3) (ng/kg) |
||||||
| PCBs | PCB-28 | 2,4,4'-trichlorobiphenyl | 7012-37-5 | C12H7C13 | 257.6 | 5.62 | 4.00E-04 | 30 | 8.6 | 10.4 | <DL |
| PCB-138 | 2,2',3,4,4',5'-hexachlorobiphenyl | 35065-28-2 | C12H4C16 | 360.9 | 7.44 | 5.80E-07 | 10 | 36.9 | 42.2 | 38.3 | |
| PCB-153 | 2,2',4,4',5,5'-hexachlorobiphenyl | 35065-27-1 | C12H4C16 | 360.9 | 7.75 | 3.43E-06 | 10 | 58.2 | 67.1 | 65.3 | |
| PCB-180 | 2,2',3,4,4',5,5'-heptachlorobiphenyl | 35065-29-3 | C12H3C17 | 395.3 | 8.27 | 9.77E-07 | 17 | 54.5 | 61.3 | 62.5 | |
| PCB-105 | 2,3,3',4,4'-pentachlorobiphenyl | 32598-14-4 | C12H5C15 | 326.4 | 6.79 | 6.53E-06 | 5 | 4.1 | 5.2 | 5.7 | |
| PCB-118 | 2,3',4,4',5-pentahlorobiphenyl | 31508-00-6 | C12H5C15 | 326.4 | 7.12 | 8.97E-06 | 30 | 18.9 | 17.3 | <DL | |
| PCB-194 | 2,2',3,3',4,4',5,5'-octachlorobiphenyl | 35694-08-7 | C12H2C18 | 429.8 | 8.68 | 2.87E-08 | 12 | 11.9 | 14.3 | 15.3 | |
| PCB-206 | 2,2',3,3',4,4',5,5',6-nonachlorobiphenyl | 40186-72-9 | C12H1C19 | 464.2 | 9.14 | 7.60E-09 | 25 | 7.0 | 8.3 | <DL | |
| PCB-209 | decachlorobiphenyl | 2051-24-3 | C12C110 | 498.7 | 8.27 | 1.06E-07 | 50 | 4.3 | <DL | ||
| PCB-170 | 2,2',3,3',4,4',5-heptachlorobiphenyl | 35065-30-6 | C12H3C17 | 395.3 | 8.27 | 6.28E-07 | 30 | 16.2 | 17.4 | <DL | |
| PCB-187 | 2,2',3,4',5,5',6-heptachlorobiphenyl | 52663-68-0 | C12H3C17 | 395.3 | 8.27 | 1.30E-07 | 30 | 15.5 | 16.3 | <DL | |
| BFRs-PBDEs | BDE-28 | 2,4,4'-tribromodiphenyl ether | 41318-75-6 | C12H7Br3O | 406.9 | 5.88 | 6.70E-07 | 30 | 20.0 | 17.5 | <DL |
| BDE-47 | 2,2',4,4'-tetrabromodiphenyl ether | 5436-43-1 | C12H6Br4O | 485.8 | 6.77 | 7.00E-08 | 30 | 268.0 | 277.4 | 278.3 | |
| BDE-99 | 2,2',4,4'5-pentabromodiphenyl ether | 60348-60-9 | C12H5Br5O | 564.7 | 6.84 | 3.10E-08 | 30 | 76.0 | 81.3 | 78.2 | |
| BDE-100 | 2,2'4,4',6-pentabromodiphenyl ether | 189084-64-8 | C12H5Br5O | 564.7 | 7.66 | 2.44E-08 | 30 | 49.7 | 58.2 | 53.2 | |
| BDE-153 | 2,2',4,4',5,5'-hexabromodiphenylether | 68631-49-2 | C12H4Br6O | 643.6 | 8.55 | 2.87E-09 | 15 | 61.0 | 67.2 | 64.7 | |
| BDE-154 | 2,2',4,4',5,6'-hexabromodiphenylether | 207122-15-4 | C12H4Br6O | 643.6 | 8.55 | 2.87E-09 | 15 | 7.0 | 6.1 | <DL | |
| BFRs | PBB-153 | 2,2',4,4',5,5'-hexabromobiphenyl | 59080-40-9 | C12H4Br6 | 627.6 | 9.10 | 3.32E-07 | 15 | 15.8 | 16.5 | 15.4 |
| TBBP-a | 2,2',6,6'-tetrabromo-4,4'-isopropylidene diphenol | 79-94-7 | C15H12Br4O2 | 543.9 | 7.20 | 3.46E-11 | 12 | 120.0 | 113.8 | 122.3 | |
| Pesticides | trans-Nonachlor trans-nonachlor | 039765-80-5 | C10H5C19 | 444.2 | 6.35 | 2.16E-06 | 50 | 58.3 | 55.6 | 53.9 | |
| p,p'-DDE | Dichlorodiphenyldichloroethylene | 72-55-9 | C14H8C14 | 318.0 | 6.51 | 6.00E-06 | 90 | 921.0 | 893.2 | 926.1 | |
| P-HCH | (β) hexachlorcyclohexane | 319-85-7 | C6H6C16 | 290.8 | 4.14 | 3.52E-05 | 60 | 31.3 | 36.6 | <DL | |
| HCB | hexachlorobenzene | 118-74-1 | C6C16 | 284.8 | 5.73 | 1.80E-05 | 55 | 29.7 | 38.5 | <DL | |
(1) Concentration reported in standard reference material (SRM).[43]
(2) Concentration measured in 1 ml samples of reconstituted SRM.
(3) Concentration measured in 50 μl blood spot samples using reconstituted SRM.