\vEPA United States Environmental Protection Agency Office of Chemical Safety and Pollution Prevention Final Risk Evaluation for 1,4-Dioxane Systematic Review Supplemental File: Data Quality Evaluation of Physical-Chemical Properties 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 Table 1. Molecular Weight Study Summary for 1,4-Dioxane 3 Table 2. Physical Form Study Summary for 1,4-Dioxane 4 Table 3. Melting Point Study Summary for 1,4-Dioxane 5 Table 4. Boiling Point Study Summary for 1,4-Dioxane 6 Table 5. Density Study Summary for 1,4-Dioxane 7 Table 6. Vapor Pressure Study Summary for 1,4-Dioxane 8 Table 7. Vapor Density Study Summary for 1,4-Dioxane 9 Table 8. Water Solubility Study Summary for 1,4-Dioxane 10 Table 9. Octanol-water Partition Coefficient Study Summary for 1,4-Dioxane 11 Table 10. Henry's Law Constant Study Summary for 1,4-Dioxane 12 Table 11. Flash Point Study Summary for 1,4-Dioxane 13 Table 12. Autoflammability Study Summary for 1,4-Dioxane 14 Table 13. Viscosity Study Summary for 1,4-Dioxane 15 Table 14. Refractive Index Study Summary for 1,4-Dioxane 16 Table 15. Dielectric Constant Study Summary for 1,4-Dioxane 17 Page 2 of 17 ------- Table 1. Molecular Weight Study Summary for 1,4-Dioxane Study Reference: Haynes WM et al. (2014). CRC handbook of chemistry and physics: A ready-reference book of chemical and physical data. 95th ed. CRC Press, Boca Raton, FL. HERO ID: 2828348 Note: Haynes et al. (2014). reported various physical-chemical properties and only the confidence of the molecular weight is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer-reviewed by experts in the field and are broadly available to the public for review and use. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Not rated This metric is not applicable to this type of information. Overall Quality Level High Page 3 of 17 ------- Table 2. Physical Form Study Summary for 1,4-Dioxane Study Reference: O'Neil, M.J., ed. (2001). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 14th ed., Whitehouse Station, NJ: Merck and Co., Inc., p. 581. HERO ID: 595055 Note: O'Neil (2001) reported various physical-chemical properties and only the confidence of the physical form is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High Data presented for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Data cited as found in the literature. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer-reviewed by experts in the field and are broadly available to the public for review and use. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Not rated This metric is not applicable to this type of information. Overall Quality Level High Page 4 of 17 ------- Table 3. Melting Point Study Summary for 1,4-Dioxane Study Reference: Haynes WM et al. (2014). CRC handbook of chemistry and physics: A ready-reference book of chemical and physical data. 95th ed. CRC Press, Boca Raton, FL. HERO ID: 2828348 Note: Haynes et al. (2014). reported various physical-chemical properties and only the confidence of the melting point is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer-reviewed by experts in the field and are broadly available to the public for review and use. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 5 of 17 ------- Table 4. Boiling Point Study Summary for 1,4-Dioxane Study Reference: O'Neil, M.J., ed. (2006). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 14th ed., Whitehouse Station, NJ: Merck and Co., Inc., p. 1054. HERO ID: 737461 Note: O'Neil (2006) reported various physical-chemical properties and only the confidence of the boiling point is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High Data presented for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Data cited as found in the literature. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer-reviewed by experts in the field and are broadly available to the public for review and use. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 6 of 17 ------- Table 5. Density Study Summary for 1,4-Dioxane Study Reference: O'Neil, M.J., ed. (2001). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 14th ed., Whitehouse Station, NJ: Merck and Co., Inc., p. 581. HERO ID: 595055 Note: O'Neil (2001) reported various physical-chemical properties and only the confidence of the density is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High Data presented for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Data cited as found in the literature. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer-reviewed by experts in the field and are broadly available to the public for review and use. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 7 of 17 ------- Table 6. Vapor Pressure Study Summary for 1,4-Dioxane Study Reference: Lewis RJ, Sr. (1999). Sax's dangerous properties of industrial materials. New York, NY: John Wiley & Sons. HERO ID: 625540 Note: Lewis (1999) reported the vapor pressure. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High Data presented for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Data cited as found in the literature. Evaluation/Review The information or data reported has reliable review. High The information or data is from a recognized data collection Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 8 of 17 ------- Table 7. Vapor Density Study Summary for 1,4-Dioxane Study Reference: Lewis R.J Sr. (2012). Sax's dangerous properties of industrial materials. New York, NY: John Wiley & Sons. HERO ID: 3840105 Note: Lewis (2012) reported the vapor density. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High Data presented for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Data cited as found in the literature. Evaluation/Review The information or data reported has reliable review. High The information or data is from a recognized data collection. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 9 of 17 ------- Table 8. Water Solubility Study Summary for 1,4-Dioxane Study Reference: Yalkowsky, SH; He, Y; Jain, P. (2010). Handbook of aqueous solubility data (2nd ed.). Boca Raton, FL: CRC Press. httD://dx.doi.ore/10.1201/EBK1439802458. HERO ID: 2990992 Note: Yalkowsky et al. (2010) reported the water solubility. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evaluation/Review The information or data reported has reliable review. High The information is from a data collection where data are peer- reviewed by experts in the field and are broadly available to the public for review and use. Original sources are also referenced. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 10 of 17 ------- Table 9. Octanol-water Partition Coefficient Study Summary for 1,4-Dioxane Study Reference: Hansch, C., Leo, A., D. Hoekman. (1995). Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society. HERO ID: 51424 Note: Hansch et al. (1995) reported the log Kow. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection that has been compiled by experts and includes references to the original sources. The original source for this value is a peer-reviewed journal. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 11 of 17 ------- Table 10. Henry's Law Constant Study Summary for 1,4-Dioxane Study Reference: Park, J. H., et al. (1987). Experimental reexamination of selected partition coefficients from RohrSchneider's data set. Analytical Chemistry 59(15): 1970-1976. HERO ID: 194328 Note: Park et al. (1987) reported the Henry's Law Constant. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High Data presented for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evaluation/Review The information or data reported has reliable review. High The value was from a peer- reviewed source. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. High Methodology for producing the information is designed to answer a specific question, and the methodology's objective is clear. Reliability/Analytic Method The information or data reported is from a reliable method. High Data are obtained by accepted analytic methods. Overall Quality Level High Page 12 of 17 ------- Table 11. Flash Point Study Summary for 1,4-Dioxane Study Reference: Larranaga, MD; Lewis, RJ; Lewis, RA (Eds.) (2016) In Hawley's condensed chemical dictionary (16th, pp. 512). Hoboken, NJ: John Wiley & Sons, Inc. HERO ID: 5333260 Note: Larranaga et al. (2016) reported the flash point. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High Data presented for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Data cited as found in the literature. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer-reviewed by experts in the field and are broadly available to the public for review and use. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. High Data are obtained by accepted standard analytic methods. Overall Quality Level High Page 13 of 17 ------- Table 12. Autoflammability Study Summary for 1,4-Dioxane Study Reference: USCG, (1999). Chemical Hazards Response Information System (CHRIS) Hazardous Chemical Data. Washington, DC. HERO ID: 5208492 Note: USCG (1999) reported the autoflammability temperature. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 14 of 17 ------- Table 13. Viscosity Study Summary for 1,4-Dioxane Study Reference: O'Neil, M.J., ed. (2013). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 15th ed., Whitehouse Station, NJ: Merck and Co., Inc. HERO ID: 3378176 Note: O'Neil (2013) reported various physical-chemical properties and only the viscosity is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High Data presented for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Data cited as found in the literature. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer-reviewed by experts in the field and are broadly available to the public for review and use. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 15 of 17 ------- Table 14. Refractive Index Study Summary for 1,4-Dioxane Study Reference: Haynes WM et al. (2014). CRC handbook of chemistry and physics: A ready-reference book of chemical and physical data. 95th ed. CRC Press, Boca Raton, FL. HERO ID: 2828348 Note: Haynes et al. (2014) reported various physical-chemical properties and only the refractive index is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High The data was measured for the substance of interest. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High The measured value is consistent with the nature of the substance. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection where data are peer-reviewed by experts in the field and are broadly available to the public for review and use. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 16 of 17 ------- Table 15. Dielectric Constant Study Summary for 1,4-Dioxane Study Reference: Bruno, T. J. and P. D. N. Svoronos (2006). CRC Handbook of Fundamental Spectroscopic Correlation Charts. Boca Raton, FL, CRC Press. HERO ID: 3839962 Note: Haynes et al. (2014) reported various physical-chemical properties and only the refractive index is evaluated. Domain/Metric Description/ Definition Qualitative Determination [i.e., High, Medium, Low, Unacceptable, or Not rated] Comment Representativeness The information or data reflects the data and chemical substance type. High Data presented for the subject chemical substance. Appropriateness The information or data reflects anticipated results based on chemical structural features or behaviors. High Data cited as found in the literature. Evaluation/Review The information or data reported has reliable review. High The information is from a recognized data collection. Reliability/Unbiased (Method Objectivity) The method for producing the data/information is not biased towards a particular product or outcome. Not rated Data source does not provide information to determine the method objectivity (unbiased method). Thus, the domain/metric was not rated. Reliability/Analytic Method The information or data reported is from a reliable method. Low Data source does not provide information regarding the analytical method. Overall Quality Level High Page 17 of 17 ------- |