Registration Dossier
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EC number: - | CAS number: -
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Significant accumulation of the test item in organisms is not to be expected.
Key value for chemical safety assessment
Additional information
A log Kow of 10.08 was estimated for the uncharged molecule.
Estimations of the BCF were performed with two different models. The results are evaluated in a weight-of-evidence-approach.
- EPISuite v4.1/BCFBAFv3.01: A BCF value of 104.4 was estimated on the basis of the log Kow of 10.08. Using the Arnot-Gobas method including biotransformation rates the BCF for the upper trophic level was estimated at 1.894; the BAF for the upper trophic level was estimated at 67.45.
- A BCF calculation using the CATALOGIC v.5.11.6 BCF base-line model_new ionization term is available for Fatty acids, C16 -18 and C18 -unsatd., isooctyl esters, epoxidized (CAS 97553 -05 -4). The influence of mitigating factors like ionization of the molecule, water solubility, size and metabolism are also considered by the model. Taking into account these mitigating factors the BCF is reduced to 6.8 (log BCF = 0.833).
Besides metabolism also the low water solubility and the molecular size reduce the log BCF as estimated by the model. Both parameters are discussed within the literature whether certain threshold values are suitable as cut-off criteria for indication of limited bioaccumulation. Regarding molecular size, the PBT working group on hazardous substances discussed a maximum diameter of > 17.4 Å (Comber et al., 2006).The maximum diameter average of the test item is determined to be 21.8601 Å, depending on its conformation. All in all, based on the predicted log BCF of 0.833 significant bioaccumulation is not to be expected in animal tissues. The test substance is to 100% within the parameter ranges, and 93% within the structural domain of the model.
CONCLUSIONS
Following the calculated log Kow values of 10.08 (uncharged molecule) bioccumulation in organisms may not be excluded.
The two separate estimation models (BCFBAF v3.01 and CATALOGIC v5.11.6) calculate maximum BCF values between 1.894 and 104.4.
Considering mitigating factors like biotransformation, water solubility and molecular size, the BCF is reduced to values of 6.8 (log BCF 0.833) indicating low potential for bioaccumulation. In addition, due to the low water solubility exposure of aquatic organisms to significant amounts is unlikely. Therefore, unacceptable risks due to possible bioaccumulation are not expected. In addition, based on current knowledge, a calculated log Kow of 10 or above is taken as an indicator of reduced bioconcentration. (Chapter R.7C-Endpoint Specific Guidance; R7.10.3.4)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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