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EC number: - | CAS number: -
Biodegradation in water and sediment: simulation tests
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Half-life in freshwater:
- 180 d
- Half-life in freshwater sediment:
- 1 621 d
Additional information
Surface water simulation testing:
The degradation half-life value in surface water for the test substance, ‘mono- and di- C16-18 PSE and C16-18 AE10 PSE’, was estimated using the Level III Fugacity Model (EQC Default) (EPI Suite v4.11). Since the test substance is a UVCB, the degradation half-life values in water were estimated for the individual substances representative of the major components. SMILES codes were used as the input parameter. Using the Level III fugacity model (EQC Default), the degradation half-life in surface water values for the constituents were predicted to range from 15 to 180 days with weighted average value of 61 days (US EPA, 2020). On comparing with the domain descriptors, all fifteen (15) constituents were found to meet the structural fragments and calculated ratings domain criteria, however five (5) out of the twelve (12) constituents did not meet the MW cut offs criteria as defined in the BIOWIN user guide of EPISuite. Therefore, the predictions are considered to be accurate with medium uncertainty or reliable with moderate confidence. Overall, considering the range of water half-life values for the constituents, the test substance is likely to persist in water.
Sediment simulation testing:
The degradation half-life in sediment value for the test substance, ‘mono- and di- C16-18 PSE and C16-18 AE10 PSE’, was estimated using the Level III Fugacity Model (EQC Default) (EPI Suite v4.11). Since the test substance is a UVCB, the degradation half-life values in sediment were estimated for the individual substances representative of the major components. SMILES codes were used as the input parameter for the degradation half-life predictions. Using the EQC default assumptions in Level III Fugacity Model, the degradation half-life in sediment values for the constituents were predicted to range from 135 to 1621 days with weighted average value of 549 days (US EPA, 2020). On comparing the domain descriptors, all twelve (12) constituents were found to meet the structural fragments and calculated ratings domain criteria, however five (5) out of the twelve (12) constituents did not meet the MW cut offs criteria as defined in the BIOWIN user guide of EPISuite, whose results are used for extrapolating the half-lives. Therefore, the predictions are considered to be accurate with medium uncertainty or reliable with moderate confidence. Overall, considering the range of sediment half-life values for the constituents, the test substance is likely to persist in sediment.
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