Registration Dossier
Registration Dossier
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EC number: 439-020-3 | CAS number: -
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 substance for 28 days. The determined bioconcentration factor was <37 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 both test concentration (0.5 and 0.05 mg/L) are below the determined water solubility of the test item (< 0.61 mg/L).
However, the results are supported by the calculated logPow of above 11 and the molecular weight of the main components of the test item (958.19 [tris-isomer] and 1142.46 [tetra-isomer]). 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 2.66 nm for the tris-isomer and 2.93 nm for the tetra-isomer. 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, three 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 1.6 for the tris-isomer and 1.47 for the tetra-isomer.US EPA EPISuite v4.10 (BCF BAF v3.01) revealed a BCF of 9.575 L/kg wet-wt for the tris-isomer and 3.162 L/kg wet-wt for the tetra-isomer. CATALOGIC v5.11.5 (BCF base-line model v2.05) resulted in a BCF of 77.04 with all mitigating factors applied. Even though the test substance is slightly out of domain concerning the molecular weight (CATALOGIC domain molecular weight = 16.041 -943.221) and the structural domain was correct with only 56.25% (43.48 unknown) for the tris-isomer and 60.98 % (39.02% unknown) for the tetra-isomer the results support the overall conclusion in a weight of evidence.
Furthermore, concerning toxicokinetics, a bioaccumulation potential is unlikely because the substance is probably poorly absorbed and offers hydroxy groups for phase II xenobiotoc metabolism.
In overall conclusion, regarding all available information the test item does not significantly accumulate in organisms.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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