Ecological State of the Science Report on Decabromodiphenyl Ether (decaBDE)
- Summary
- List of Acronyms
- 1. Introduction
- 2. Evidence for Bioaccumulation
- 3. Evidence of Transformation
- 4. Summary and Conclusions
- 5. Key Uncertainties and Data Gaps
- 6. References
- Appendix A: Biota Concentration Data
- Appendix B: Bioaccumulation, Biomagnification and Trophic Magnification Data
- Appendix C: Selection of Log Kow for QSAR Modelling of decaBDE
- Appendix D: Model Input Parameters for BAF-QSAR and Terrestrial Biomagnification Model Predictions for DecaBDE Transformation Products
- Appendix E: Summary of Environmental Degradation and Debromination Studies for decaBDE
- Appendix F: Structural Diagrams for DecaBDE and DecaBDethane
Appendix D: Model Input Parameters for BAF-QSAR and Terrestrial Biomagnification Model Predictions for DecaBDE Transformation Products
(a) BAF-QSAR Input Parameters for Lower Brominated PBDEs, Hydroxylated BDEs and Hydroxymethoxy-BDEs
| Metabolite | Log Kow | Median kM (1/d) (184 g fish at 15 °C |
|---|---|---|
| Hydroxymethoxy-octaBDEs | 6.5Footnote a | 0.02Footnote d |
| Hydroxymethoxy-hexaBDEs | 4.7Footnote a | 0.02Footnote d |
| Hydroxymethoxy-pentaBDEs | 3.9Footnote a | 0.02Footnote d |
| Hydroxymethoxy-heptaBDEs | 5.6Footnote a | 0.02Footnote d |
| Hydroxy-hexaBDEs | 4.7Footnote a | 0.02Footnote d |
| Hydroxy octaBDEs | 6.4Footnote a | 0.02Footnote d |
| Hydroxy-nonaBDEs | 7.3Footnote a | 0.02Footnote d |
| nonaBDEs | 7.8Footnote b | 0.02Footnote e |
| octaBDEs | 6.9Footnote c | 0.03Footnote f |
| heptaBDEs | 6.0Footnote b | 0.01Footnote g |
| hexaBDEs | 5.1Footnote b | 0.001Footnote h |
| pentaBDEs | 4.3Footnote a | 0.001Footnote i |
Footnotes
- Footnote A
Estimated using KOWWIN using the EVA method with a reference logKow of 8.7 for decaBDE.
- Footnote B
Estimated using the KOAWIN estimation model and with input of corrected logKow from KOWWIN EVA method.
- Footnote C
Maximum measured value (Watanabe and Tatsukawa 1990).
- Footnote D
kM based on Tomy et al. (2004) and normalized to weight of middle trophic level fish in Arnot and Gobas (2004) model and 15 °C. These metabolites are expected to undergo further metabolism; however, the actual rates of metabolism are unknown.
- Footnote E
Information regarding the half-life and kM of nonaBDEs is lacking in the literature and a half-life of 26 d (equal to that of decaBDE) was therefore assumed. Normalized to weight of middle trophic level fish in Arnot and Gobas (2004) model and 15 °C.
- Footnote F
Based on a half-life of 19 d (Tomy et al. 2004) and normalized to weight of middle trophic level fish in Arnot and Gobas model and 15 °C.
- Footnote G
Based on a half-life of 38 d (Stapleton et al. 2004, Tomy et al. 2004--estimates ranged from 19 to 346 d) and normalized to weight of middle trophic level fish in Arnot and Gobas (2004) model and 15 °C.
- Footnote H
Based on a half-life of 58 d (Stapleton et al. 2004, Tomy et al. 2004--estimates ranged from 23 to 231 d) and normalized to weight of middle trophic level fish in Arnot and Gobas (2004) model and 15 °C.
- Footnote I
Based on half-life of 50.7 d (Stapleton et al. 2004, Tomy et al. 2004--estimates ranged from 43 to 173 d) and normalized to weight of middle trophic level fish in Arnot and Gobas (2004) model and 15 °C.
(b) Terrestrial Biomagnification Model Input Parameters for Lower Brominated PBDEs, Hydroxylated BDEs and Hydroxymethoxylated BDEs
| Name and Structure | Log Kow | Log Koa | EDFootnote i | kM (1/d) (wolf BW normalized 80 kg |
|---|---|---|---|---|
| Hydroxymethoxy octaBDE | 6.5Footnote a | 17.2Footnote b | 99% | 0.004Footnote e |
| Hydroxymethoxy pentaBDE | 3.9Footnote a | 13.4Footnote b | 99% | 0.004Footnote e |
| Hydroxymethoxy hexaBDE | 4.7Footnote c | 14.6Footnote b | 99% | 0.004Footnote e |
| Hydroxymethoxy heptaBDE | 5.6Footnote a | 15.9Footnote b | 99% | 0.004Footnote e |
| Hydroxy-hexaBDE | 4.7Footnote a | 13.4Footnote b | 99% | 0.004Footnote e |
| hydroxy-octaBDE, | 6.4Footnote a | 15.9Footnote b | 98% | 0.004Footnote e |
| hydroxy-nonaBDE | 7.3Footnote a | 17.2Footnote b | 96% | 0.004Footnote e |
| NonaBDEs | 7.8Footnote c | 13.7Footnote b | 90% | 0.007Footnote f |
| OctaBDEs | 6.9Footnote d | 12.4Footnote b | 98% | 0.003Footnote g |
| HeptaBDEs | 6.0Footnote c | 11.1Footnote b | 99% | 0.004Footnote h |
| HexaBDEs | 5.1Footnote c | 9.8Footnote b | 99% | 0.004Footnote h |
| PentaBDEs | 4.3Footnote c | 8.6Footnote b | 99% | 0.004Footnote h |
Footnotes
- Footnote bA
Estimated using KOWWIN using the EVA method with a reference logKow of 8.7 for decaBDE.
- Footnote bB
Estimated using KOAWIN and with input of corrected logKow from KOWWIN EVA method.
- Footnote bC
Lowest QSAR estimates from the Supporting Working Document (Environment Canada 2006b).
- Footnote bD
Maximum measured value (Watanabe and Tatsukawa 1990).
- Footnote bE
Average based on longest observed half-lives for decaBDE, nonaBDEs and octaBDEs by Huwe and Smith (2007) and normalized to BW of wolf in Gobas Model (80 kg).
- Footnote bF
Based on longest half-life of 22.6 d for nonaBDEs observed by Huwe and Smith (2007) and normalized to BW of wolf in Gobas Model (80 kg).
- Footnote bG
Based on longest half-life of 64.8 d for octaBDEs observed by Huwe and Smith (2007) and normalized to BW of wolf in Gobas Model (80 kg).
- Footnote bH
Based on half-life of 43.7 d (average of half-lives for nona- and octaBDEs) and normalized to BW of wolf in Gobas Model (80 kg).
- Footnote bI
Estimated according to Kelly et al. (2004) based on ED for humans.
(c) BAF-QSAR and Terrestrial Biomagnification Model Input Parameters for Brominated Dibenzofurans
| Product | Smiles | Log KowFootnote a | Log KoaFootnote b | Aquatic kMFootnote c (1/d) | Mammal kMFootnote d (1/d) | ED |
|---|---|---|---|---|---|---|
| triBDBFs | C12=CC(Br)=C(Br)C=C1OC3=C2C=C(Br)C=C3 | 3.0 | 7.1 | 0.02 | 0.004 | 99% |
| tetraBDBFs | C12=CC(Br)=C(Br)C=C1OC3=C2C=C(Br)C(Br)=C3 | 3.9 | 8.2 | 0.02 | 0.004 | 99% |
| pentaBDBFs | C12=CC(Br)=C(Br)C=C1OC3=C2C=C(Br)C(Br)=C3Br | 4.8 | 9.5 | 0.02 | 0.004 | 99% |
| hexaBDBFs | C12=C(Br)C(Br)=C(Br)C=C1OC3=C2C=C(Br)C(Br)=C3Br | 5.6 | 10.7 | 0.02 | 0.004 | 99% |
Footnotes
- Footnote cA
Estimated using KOWWIN using the EVA method with a reference logKow of 8.7 for decaBDE.
- Footnote cB
Estimated using KOAWIN and with input of corrected logKow from KOWWIN EVA method.
- Footnote cC
kM for these metabolites is illustrative only and is consistent with a half-life of 26 d and normalized to weight of middle trophic level fish in Arnot and Gobas (2004) model and 15 °C. These metabolites are expected to undergo further metabolism; however, the actual rates of metabolism are unknown.
- Footnote cD
Average based on longest observed half-lives for decaBDE, nonaBDEs and octaBDEs by Huwe and Smith (2007a, 2007b) and normalized to body weight of wolf in Gobas model (80 kg); kM for these metabolites is illustrative only and is consistent with a half-life of 26 d. These metabolites are expected to undergo further metabolism; however, the actual rates of metabolism are unknown.
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