Registration Dossier
Registration Dossier
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EC number: 444-090-3 | CAS number: 204848-45-3
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
The test substance does not significantly accumulate in organisms.
Key value for chemical safety assessment
Additional information
The bioaccumulation potential of the substance was tested in a guideline study following OECD 305 (Institute of Ecotoxicology Co., Ltd., Japan 2003). Japanese carp (Cyprinus carpio) were exposed to the test substance for 28 days. The determined bioconcentration factor was <29 and the test item does not significantly accumulate in fish. Despite the use of an emulsifier the test is regarded as valid in a weight of evidence since the low exposure level (0.01 mg/L) was below the determined water solubility of the test item (< 0.02 mg/L).
However, the results are supported by the calculated logPow of 10.7 and the molecular weight of the test item (677.9). According to the guidance on information requirements and chemical safety assessment Chapter R.11 - PBT Assessment - the aquatic BCF of a substance is probably lower than 2000 L/kg if the calculated logKow is higher than 10. A molecular weight higher than 1100 g/mol is an indicator that the aquatic BCF of the respective substance is lower than 2000 L/kg. If the substance has a molecular weight higher than 700 g/mol this is an indicator that the BCF is below 5000 L/kg.
Furthermore, the maximum diameter of the main components was calculated using CATALOGIC v5.11.5. It resulted in an average maximum diameter (Dmaxaver) of 2.63 nm. According to the guidance R. 11 another parameter that directly reflects the molecular size of a substance is the average maximum diameter (Dmaxaver). Very bulky molecules will less easily pass the cell membranes. This results in a reduced BCF of the substance. From a diverse set of chemicals it appeared that for compounds with a Dmaxaverlarger than 1.7 nm the BCF value was less than 5000 L/kg. It can be assumed combining the maximum diameter of above 1.7 nm and the high molecular size of the test item that the test item will not easily pass the cell membranes, the uptake is reduced and bioaccumulation will not occur.
Additionally, four different calculations were conducted to support these results. US EPA T.E.S.T v4.0.1 using the consensus method resulted in a BCF of 3.2.US EPA EPISuite v4.10 (BCF BAF v3.01) revealed a BCF of 15.6 L/kg wet-wt. CATALOGIC v5.11.5 (BCF base-line model v2.05) resulted in a BCF of 7.5 with all mitigating factors applied. Even though the structural domain was correct with only 49.02% (50.98% unknown) the results support the overall conclusion in a weight of evidence. Another calculation was conducted using VEGA BCF model (CAESAR) version 2.1.8. It resulted in a predicted BCF of 4 L/kg (logBCF = 0.65). Likewise CATALOGIC the test substance was out of domain. Nevertheless, the results can be used in the weight of evidenceto give an indication if the test substance has a bioaccumulative potential.
In overall conclusion, regarding all available information the test item does not significantly accumulate in organisms and the BCF is below 100.
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