PEER REVIEW DRAFT, DO NOT CITE OR QUOTE ¦¦¦¦HjyHK united States Office of Chemical Safety and Li| Environmental Protection Agency Pollution Prevention Risk Evaluation for 1,4-Dioxane Systematic Review Supplemental File: Data Quality Evaluation of Environmental Fate and Transport Studies CASRN: 123-91-1 June 2019 1 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE Table of Contents Kelley, S. L., Aitchison, E. W., Deshpande, M., Schnoor, J. L., Alvarez, P. J. J Biodegradation of 1,4-dioxane in planted and unplanted soil: Effect of bioaugmentation with Amycolata sp CB1190. Water Research. 2001. 35:3791-3800. HERO ID: 1462050 3 Boethling, R. S. and D. Mackay (2000). Handbook of property estimation methods for chemicals: Environmental and health sciences. Boca Raton, FL, Lewis. HERO ID: 196353 6 U.S, EPA. 2012. Estimation Programs Interface Suite™ for Microsoft® Windows, version 4.11. HERO ID: 2347246 8 Lyman, W., W. Reehl, and D. Ronsenblatt. 1982. Handbook of Chemical Property Estimation Methods (Ch 8, P 8-4). HERO ID: 4795691 11 2 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE Study Reference: Kelley, S. L., Aitchison, E. W., Deshpande, M., Schnoor, J. L., Alvarez, P. J. J Biodegradation of 1,4-dioxane in planted and unplanted soil: Effect of bioaugmentation with Amycolata sp CB1190. Water Research. 2001. 35:3791-3800. HERO ID: 1462050 Domain Metric Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comments Metric Score Metric Weighting Factor Weighted Score Test Substance 1. Test substance identity High The test substance was identified by chemical name. 1 2 2 2. Test substance purity Medium The source and purity of 1,4- dioxane were not reported under materials and methods; a brief description (p. 3797) of the tracer material was reported. 2 1 2 Test Design 3. Study Controls Medium Reference substance was not reported but some experimental controls were run with the test material. 2 2 4 4. Test Substance stability Medium Details regarding this metric were not reported but this does not limit the interpretation of the results. 2 1 2 Test Conditions 5. Test Method Suitability High The test method was suitable for the test substance. 1 1 1 6. Testing Conditions Medium Some testing conditions (soil details) were not provided; however, the omissions were not likely to have had a substantial impact on the study results. 2 2 4 7. Testing Consistency High No inconsistencies were reported or identified. 1 1 1 8. System Type and Design High System design was reported and appropriate. 1 1 1 3 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE Test Organisms 9. Test Organism Degradation High Pure culture test organism described. 1 2 2 10. Test Organism Partitioning Not rated (NR) The metric is not applicable to this study type. NR NR NR Outcome Assessment 11. Outcome Assessment Methodology Medium The experiment with hybrid poplar trees evaluated dioxane removal by evapotranspiration and biodegradation and may not be relevant to typical environmental conditions. 2 1 2 12. Sampling Methods Medium The experiment with hybrid poplar trees evaluated dioxane removal by evapotranspiration and biodegradation and may not be relevant to typical environmental conditions. 2 1 2 Confounding/ Variable Control 13. Confounding Variables Low 49-67% total recovery was reported; the authors indicated that the remaining 51-33% may have leaked from the system. 3 1 3 14. Outcomes Unrelated to Exposure Not rated The metric is not applicable to this study type. NR NR NR Data Presentation and Analysis 15. Data Reporting Medium Some information was not reported (i.e., mass balance); however, these omissions were not likely to have had a substantial impact on the study results. 2 2 4 4 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE 16. Statistical Methods and Kinetic Calculations Not rated The metric is not applicable to this study type. NR NR NR Other 17. Verification or Plausibility of Results Not rated The metric is not applicable to this study type. NR NR NR 18. QSAR Models Not rated The metric is not applicable to this study type. NR NR NR Sum of scores: 22 18 30 II i^li Medium l.ow Overall Score = Sum of Weighted Scores/Sum of Metric Weighting Factors: 1.67 Overall Score (Rounded): 1.7 >1 and <1.7 ¦ 1.7 ;ind ¦-2.A '¦2,'A ;ind o Overall Quality Level: Medium 5 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE Study Reference: Boethling, R. S. and D. Mackay (2000). Handbook of property estimation methods for chemicals: Environmental and health sciences. Boca Raton, FL, Lewis. HERO ID: 196353 Domain Metric Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comments Metric Score Metric Weighting Factor Weighted Score Test Substance 1. Test substance identity High The test substance was identified by chemical name. 1 2 2 2. Test substance purity Not rated The metric is not applicable to this study type (SAR). NR NR NR Test Design 3. Study Controls Not rated The metric is not applicable to this study type (SAR). NR NR NR 4. Test Substance stability Not rated The metric is not applicable to this study type (SAR). NR NR NR Test Conditions 5. Test Method Suitability Not rated The metric is not applicable to this study type (SAR). NR NR NR 6. Testing Conditions Not rated The metric is not applicable to this study type (SAR). NR NR NR 7. Testing Consistency Not rated The metric is not applicable to this study type (SAR). NR NR NR 8. System Type and Design Not rated The metric is not applicable to this study type (SAR). NR NR NR Test Organisms 9. Test Organism Degradation Not rated The metric is not applicable to this study type (SAR). NR NR NR 10. Test Organism Partitioning Not rated The metric is not applicable to this study type (SAR). NR NR NR Outcome Assessment 11. Outcome Assessment Methodology Not rated The metric is not applicable to this study type (SAR). NR NR NR 12. Sampling Methods Not rated The metric is not applicable to this study type (SAR). NR NR NR Confounding/ Variable Control 13. Confounding Variables Not rated The metric is not applicable to this study type (SAR). NR NR NR 14. Outcomes Unrelated to Exposure Not rated The metric is not applicable to this study type (SAR). NR NR NR Data Presentation and Analysis 15. Data Reporting Not rated The metric is not applicable to this study type (SAR). NR NR NR 6 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE 16. Statistical The metric is not Methods and Not rated applicable to this NR NR NR Kinetic Calculations study type (SAR). 17. Verification The metric is not or Not rated applicable to this NR NR NR Plausibility of Results study type (SAR). Discusses mechanisms and QSAR models for Other hydrolysis such as HYDROWIN 18. QSAR Models High 1.67 which has a defined, unambiguous endpoint and model performance is known. 1 1 1 Sum of scores: 2 3 3 Overall Score = Sum of Weighted Overall lli»h Medium Low Scores/Sum of Metric Weighting Factors: 1 Score (Rounded): 1 ¦ 1.7 ;ind ¦¦¦2/A Overall ¦ 1 ;ind ¦: 1.7 ¦ -2.'A ;ind o Quality High Level: 7 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE Study Reference: U.S, EPA. 2012. Estimation Programs Interface Suite™ for Microsoft® Windows, version 4.11. HERO ID: 2347246 Domain Metric Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comments Metric Score Metric Weighting Factor Weighted Score Test Substance 1. Test substance identity High The test substance was identified by chemical name. 1 2 2 2. Test substance purity Not rated The metric is not applicable to this study type (SAR). NR NR NR Test Design 3. Study Controls Not rated The metric is not applicable to this study type (SAR). NR NR NR 4. Test Substance stability Not rated The metric is not applicable to this study type (SAR). NR NR NR Test Conditions 5. Test Method Suitability Not rated The metric is not applicable to this study type (SAR). NR NR NR 6. Testing Conditions Not rated The metric is not applicable to this study type (SAR). NR NR NR 7. Testing Consistency Not rated The metric is not applicable to this study type (SAR). NR NR NR 8. System Type and Design Not rated The metric is not applicable to this study type (SAR). NR NR NR Test Organisms 9. Test Organism Degradation Not rated The metric is not applicable to this study type (SAR). NR NR NR 10. Test Organism Partitioning Not rated The metric is not applicable to this study type (SAR). NR NR NR Outcome Assessment 11. Outcome Assessment Methodology Not rated The metric is not applicable to this study type (SAR). NR NR NR 12. Sampling Methods Not rated The metric is not applicable to this study type (SAR). NR NR NR Confounding/ Variable Control 13. Confounding Variables Not rated The metric is not applicable to this study type (SAR). NR NR NR 14. Outcomes Unrelated to Exposure Not rated The metric is not applicable to this study type (SAR). NR NR NR Data Presentation and Analysis 15. Data Reporting Not rated The metric is not applicable to this study type (SAR). NR NR NR 8 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE 16. Statistical Methods and Kinetic Calculations Not rated The metric is not applicable to this study type (SAR). NR NR NR 17. The metric is not Verification applicable to this or Not rated study type (SAR). NR NR NR Plausibility of Results Other 18. QSAR Models High The models in EPI Suite™ have defined endpoints. Chemical domain and performance statistics for each model are known, and unambiguous algorithms are available in the EPI Suite™ documentation and/or cited references to establish their scientific validity. Many EPI SuiteTM models have correlation coefficients >0.7, cross-validated correlation coefficients >0.5, and standard error values <0.3; however, correlation coefficients (r2, q2) for the regressions of some environmental fate models (i.e. BIOWIN) are lower, as expected, compared to regressions which have specific experimental values such as water solubility or log Kow (octanol-water partition coefficient). 1 1 1 9 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE Sum of scores: 2 3 3 II tell Medium l.ow Overall Score = Sum of Weighted Scores/Sum of Metric Weighting Factors: 1 Overall Score (Rounded): 1 >1 and <1.7 ¦ 1.7 ;ind -¦2:a ¦¦¦2,'A ;ind ''3 Overall Quality Level: High 10 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE Study Reference: Lyman, W., W. Reehl, and D. Ronsenblatt. 1982. Handbook of Chemical Property Estimation Methods fCh 8, P 8-4). HERO ID: 4795691 Domain Metric Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comments Metric Score Metric Weighting Factor Weighted Score Test Substance 1. Test substance identity High The test substance was identified by chemical name. 1 2 2 2. Test substance purity Not rated The metric is not applicable to this study type (SAR). NR NR NR Test Design 3. Study Controls Not rated The metric is not applicable to this study type (SAR). NR NR NR 4. Test Substance stability Not rated The metric is not applicable to this study type (SAR). NR NR NR Test Conditions 5. Test Method Suitability Not rated The metric is not applicable to this study type (SAR). NR NR NR 6. Testing Conditions Not rated The metric is not applicable to this study type (SAR). NR NR NR 7. Testing Consistency Not rated The metric is not applicable to this study type (SAR). NR NR NR 8. System Type and Design Not rated The metric is not applicable to this study type (SAR). NR NR NR Test Organisms 9. Test Organism Degradation Not rated The metric is not applicable to this study type (SAR). NR NR NR 10. Test Organism Partitioning Not rated The metric is not applicable to this study type (SAR). NR NR NR Outcome Assessment 11. Outcome Assessment Methodology Not rated The metric is not applicable to this study type (SAR). NR NR NR 12. Sampling Methods Not rated The metric is not applicable to this study type (SAR). NR NR NR Confounding/ Variable Control 13. Confounding Variables Not rated The metric is not applicable to this study type (SAR). NR NR NR 14. Outcomes Unrelated to Exposure Not rated The metric is not applicable to this study type (SAR). NR NR NR Data 15. Data High This metric met 1 2 2 11 ------- PEER REVIEW DRAFT, DO NOT CITE OR QUOTE Presentation Reporting the criteria for and Analysis high confidence as expected for this type of study. 16. Statistical The metric is not Methods and Not rated applicable to this NR NR NR Kinetic Calculations study type (SAR). 17. Verification The metric is not or Not rated applicable to this NR NR NR Plausibility of Results study type (SAR). Other The study data were based on a 18. QSAR Models High SAR for a compound with a known chemical structure. 1 1 1 Sum of scores: 3 5 5 Overall Score = Sum of Weighted Overall II i^li Medium Low Scores/Sum of Metric Weighting Factors: 1 Score (Rounded): 1 -¦1.7 ;ind ¦¦¦2/A Overall >1 nnd <1.7 ¦ -2.'A ;ind --'A Quality Level: High 12 ------- |