Registration Dossier
Registration Dossier
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EC number: 216-971-0 | CAS number: 1709-70-2
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Significant accumulation is not to be expected.
Key value for chemical safety assessment
Additional information
There are no robust studies available for the present substance. A weight-of-evidence approach was conducted to assess the bioaccumulation potential. Three different QSAR calculations with different models have been performed.
(1) Catalogic: BCF = 7.43
(2) T.E.S.T.: BCF = 501.39
(3) EPISuite BCFBAF: BCF = 3.16
The logKow was estimated to be 17.17.
According to column 2 of REACh Annex IX the study on bioaccumulation does not need to be conducted if the substance has a low potential for bioaccumulation (for instance a log Kow < 3) and/or a low potentail to cross biological mlembranes; or direct and indirect exposure of the aquatic compartment is unlikely.
The substance has a water solubility of < 8 microg/L which clearly limits the bioavailability towards aquatic organisms. Furthermore, due to the high adsorption potential (log Koc > 5.6) it is expected that the substance will bind to sewage sludge and be removed from the water phase. In total, the concentrations in the environmental water phase are expected to be very low and not relevant for bioaccumulation.
Furthermore, the substance is not expected to have a significant potential to cross biological membranes. The average maximum diameter is 2 nm and the molecular weight is > 700. According to ECHA's Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.11: PBT Assessment, substances with an average molecular diameter of > 1.7 nm plus a molecular weight of > 700 are not expected to have a BCF > 5000. Furthermore, the aquatic BCF of a substance is probably lower than 2000 L/kg if the calculated log Kow is higher than 10. The present substance has a calculated log Kow of 17.17.
The calculated BCF values range from 3.16 to 501.39 which is supported by a published study from NITE reporting BCF values of 1.2 and 6.8 at concentrations of 200 and 20 microg/L, respectively. These values support the above-mentioned assessment that the substance is not expected to significantly accumualte in aquatic organisms.
In conclusion, due to the very low bioavailabiltiy, the hindered uptake via biological membranes, the very high log Kow and the different QSAR calculations as well as the reported study from NITE, the substance is not expected to significantly accumulate in organisms. It can be concluded that it is not bioaccumulative (B) and not very bioaccumulative (vB).
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