Estimating the Bioaccumulation Potential of Hydrophobic Ultraviolet Stabilizers Using Experimental Partitioning Properties
Abstract
:1. Introduction
2. Materials and Methods
2.1. Materials and Chemicals
2.2. Partition Constants between PDMS and Water (KPDMSw)
2.3. n-Octanol-Water and Fish Oil–Water Partition Constants
2.4. Instrumental Analyses
3. Results
4. Discussion
5. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Compounds | Molecular Structure | Molecular Weight (g mol−1) | Empirical Formula | CAS No. |
---|---|---|---|---|
UV326 | 315.80 | C17H18ClN3O | 3896-11-5 | |
UV327 | 357.88 | C20H24ClN3O | 3864-99-1 | |
UV328 | 351.49 | C22H29N3O | 25973-55-1 | |
UV329 | 323.43 | C20H25N3O | 3147-75-9 | |
UV531 | 326.436 | C21H26O3 | 1843-05-6 |
Chemicals | Dw a (m2·s−1) | Experimental Data | Predicted Data | ||||
---|---|---|---|---|---|---|---|
log KPDMSw (KPDMSw in Lw·LPDMS−1) | log Klipw (Klipw in Lw·Llip−1) | log Kow (Kow in Lw·Lo−1) | log Kow (ECHA) b | log Kow (EPI Suite) c | log Kow (ALOGPS) d | ||
UV326 | 4.54 × 10−10 | 6.57 (6.53, 6.62) | 7.86 (7.81, 7.91) | 7.38 (7.34, 7.43) | >6.5 (23 °C, pH 6.4) | 5.55 | 5.70 |
UV327 | 4.15 × 10−10 | 6.56 (6.53, 6.60) | 7.69 (7.75, 7.64) | 7.31 (7.27, 7.35) | — | 6.91 | 6.27 |
UV328 | 4.21 × 10−10 | 7.22 (7.13, 7.33) | 8.34 (8.24, 8.45) | 7.94 (7.85, 8.05) | >6.5 (23 °C, pH 6.4) | 7.25 | 6.54 |
UV329 | 4.46 × 10−10 | 6.14 (6.06, 6.20) | 7.40 (7.34, 7.46) | 6.91 (6.86, 6.97) | >6.5 (23 °C, pH 6.4) | 6.21 | 5.83 |
UV531 | 4.43 × 10−10 | 6.19 (6.07, 6.38) | 7.50 (7.37, 7.68) | 7.08 (6.96, 7.27) | — | 6.96 | 6.12 |
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Do, A.T.N.; Kim, Y.; Ha, Y.; Kwon, J.-H. Estimating the Bioaccumulation Potential of Hydrophobic Ultraviolet Stabilizers Using Experimental Partitioning Properties. Int. J. Environ. Res. Public Health 2022, 19, 3989. https://0-doi-org.brum.beds.ac.uk/10.3390/ijerph19073989
Do ATN, Kim Y, Ha Y, Kwon J-H. Estimating the Bioaccumulation Potential of Hydrophobic Ultraviolet Stabilizers Using Experimental Partitioning Properties. International Journal of Environmental Research and Public Health. 2022; 19(7):3989. https://0-doi-org.brum.beds.ac.uk/10.3390/ijerph19073989
Chicago/Turabian StyleDo, Anh T. Ngoc, Yoonsub Kim, Yeonjeong Ha, and Jung-Hwan Kwon. 2022. "Estimating the Bioaccumulation Potential of Hydrophobic Ultraviolet Stabilizers Using Experimental Partitioning Properties" International Journal of Environmental Research and Public Health 19, no. 7: 3989. https://0-doi-org.brum.beds.ac.uk/10.3390/ijerph19073989