**COA United States |_| JEnvironmental Protection Agency Office of Chemical Safety and Pollution Prevention Final Risk Evaluation for 1,4-Dioxane Systematic Review Supplemental File: Data Quality Evaluation of Environmental Fate and Transport Studies CASRN: 123-91-1 December 2020 ------- This document is a compilation of tables for the data extraction and evaluation for 1,4- Dioxane. Each table shows the data point or set or information element that was extracted and evaluated from a data source in accordance with Appendix D of the Application of Systematic Review in TSCA Risk Evaluations. If the source contains more than one data set or information element, the review provides an overall confidence score for each data set or information element that is found in the source. Therefore, it is possible that a source may have more than one overall quality/confidence score. 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 Page 2 of 12 ------- 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 1. Test substance identity High The test substance was identified by chemical name. 1 2 2 Test Substance 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 3. Study Controls Medium Reference substance was not reported but some experimental controls were run with the test material. 2 2 4 Test Design 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 5. Test Method Suitability High The test method was suitable for the test substance. 1 1 1 Test Conditions 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 Test 9. Test Organism Degradation High Pure culture test organism described. 1 2 2 Organisms 10. Test Organism Partitioning Not rated (NR) The metric is not applicable to this study type. NR NR NR Outcome Assessment 11. Outcome Assessment Medium The experiment with hybrid poplar trees 2 1 2 Page 3 of 12 ------- 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 Methodology evaluated dioxane removal by evapotranspiration and biodegradation and may not be relevant to typical environmental conditions. 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 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 Page 4 of 12 ------- 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 Midi Medium Low Overall Score = Sum of Weighted Scores/Sum of Metric Weighting Factors: 1.67 Overall Score (Rounded): 1.7 1 ;md 1 1 " ;md : ^ 2 ' ;md ' Overall Quality Level: Medium Page 5 of 12 ------- 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 Qualitative Determination Metric Weighting Factor Domain Metric [i.e., High, Medium, Low, Comments Metric Score Weighted Score Unacceptable, or Not rated] 1. Test The test substance Test substance identity High was identified by chemical name. 1 2 2 Substance 2. Test The metric is not substance Not rated applicable to this NR NR NR purity study type (SAR). 3. Study Controls The metric is not Test Design Not rated applicable to this study type (SAR). NR NR NR 4. Test The metric is not Substance Not rated applicable to this NR NR NR stability study type (SAR). 5. Test The metric is not Method Suitability Not rated applicable to this study type (SAR). NR NR NR Test 6. Testing Conditions Not rated The metric is not applicable to this study type (SAR). NR NR NR Conditions 7. Testing Consistency The metric is not Not rated 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 9. Test The metric is not Test Organism Degradation Not rated applicable to this study type (SAR). NR NR NR Organisms 10. Test The metric is not Organism Not rated applicable to this NR NR NR Partitioning study type (SAR). 11. Outcome The metric is not Assessment Not rated applicable to this NR NR NR Outcome Methodology study type (SAR). Assessment 12. Sampling Methods The metric is not Not rated applicable to this study type (SAR). NR NR NR 13. The metric is not Confounding/ Variable Control Confounding Variables Not rated applicable to this study type (SAR). NR NR NR 14. Outcomes The metric is not Unrelated to Exposure Not rated applicable to this study type (SAR). NR NR NR The metric is not Data 15. Data Reporting Not rated applicable to this study type (SAR). NR NR NR Presentation and Analysis 16. Statistical Methods and Kinetic Calculations Not rated The metric is not applicable to this study type (SAR). NR NR NR Page 6 of 12 ------- 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 Qualitative Determination Metric Weighting Factor Domain Metric [i.e., High, Medium, Low, Comments Metric Score Weighted Score Unacceptable, or Not rated] 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 HYDRO WIN 1.67 18. QSAR Models High which has a defined, unambiguous endpoint and model performance is known. 1 1 1 Sum of scores: 2 3 3 Overall Score = Mid. Medium 1 AIM Sum of Weighted Scores/Sum of Metric Weighting Factors: 1 Overall Score (Rounded): 1 Overall 1 and 1 1 ~ and : ^ 2 'and ' Quality Level: High Page 7 of 12 ------- 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 16. Statistical Methods and Kinetic Not rated The metric is not applicable to this study type (SAR). NR NR NR Page 8 of 12 ------- 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 Calculations Other 17. Verification or Plausibility of Results Not rated The metric is not applicable to this study type (SAR). NR NR NR 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 Sum of scores: 2 3 3 Page 9 of 12 ------- Study U.S, EPA. 2012. Estimation Programs Interface Suite™ for Microsoft® Windows, Reference: version 4.11. HERO ID: 2347246 Qualitative Determination Domain Metric [i.e., High, Medium, Low, Unacceptable, or Not rated] Comments Metric Score Metric Weighting Factor Weighted Score Overall Score = Mid. Medium I.HM Sum of Weighted Scores/Sum of Metric Weighting Factors: 1 Overall Score (Rounded): 1 Overall 1 ;intl 1 " l~;md : ^ ;ind ^ Quality Level: High Page 10 of 12 ------- Study Reference: Lyman, W., W. Reehl, and D. Ronsenblatt. 1982. Handbook of Chemical Property Estimation Methods (Ch 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 5. Test Method Suitability Not rated The metric is not applicable to this study type (SAR). NR NR NR Test 6. Testing Conditions Not rated The metric is not applicable to this study type (SAR). NR NR NR Conditions 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 9. Test Organism Degradation Not rated The metric is not applicable to this study type (SAR). NR NR NR Organisms 10. Test Organism Partitioning Not rated The metric is not applicable to this study type (SAR). NR NR NR Outcome 11. Outcome Assessment Methodology Not rated The metric is not applicable to this study type (SAR). NR NR NR Assessment 12. Sampling Methods Not rated The metric is not applicable to this study type (SAR). NR NR NR 13. Confounding Variables Not rated The metric is not applicable to this study type (SAR). NR NR NR Confounding/ Variable Control 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 High This metric met the criteria for high confidence as expected for this type of study. 1 2 2 16. Statistical Not rated The metric is not NR NR NR Page 11 of 12 ------- Study Reference: Lyman, W., W. Reehl, and D. Ronsenblatt. 1982. Handbook of Chemical Property Estimation Methods (Ch 8, P 8-4). HERO ID: 4795691 Domain Metric Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not ratedl Comments Metric Score Metric Weighting Factor Weighted Score Methods and Kinetic Calculations applicable to this study type (SAR). Other 17. Verification or Plausibility of Results Not rated The metric is not applicable to this study type (SAR). NR NR NR 18. QSAR Models High The study data were based on a SAR for a compound with a known chemical structure. 1 1 1 Sum of scores: 3 5 5 Midi Medium I.HM Overall Score = Sum of Weighted Scores/Sum of Metric Weighting Factors: 1 Overall Score (Rounded): 1 1 and 1 1 " and 2.' 2 ' and ' Overall Quality Level: High Page 12 of 12 ------- |