Registration Dossier
Registration Dossier
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EC number: 309-629-8 | CAS number: 100545-48-0
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Aquatic bioaccumulation testing was not deemed scientifically necessary as all main constituents (components “1” to “6”, representing up to 100% of the test substance, for more details cf. log Kow data and Boundary Composition section) have log Kow values higher than 10 (11.31 to 25.96) and the test substance is highly insoluble (<0.1 µg/L). According to the Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.11 (PBT/vPvB assessment), log BCF values decrease as log Kow increases for substances with very high log Kow values (> 6) and it is unlikely that a substance bioaccumulates significantly if log Kow > 10. As a result of these properties, bioavailability for aquatic organisms is expected to be low. Furthermore, the molecular weights of these 6 components are 625, 609, 907, 1190, 891 and 593 g/mol, respectively. According to Lipinksi et al. (1997), a substance with such properties (log Kow > 5 and MW > 500 g/mol) and more than 5 H-bond donors and 10H-bond acceptors is unlikely to cross a biological membrane in amounts sufficient to exert toxic response. Moreover, Dimitrov et al. (2005) showed that substances with log Kow values higher than 10 had BCF values significantly lower (<1000 L/kg) than the threshold of 2000 L/kg ww. Furthermore, according to Rekker and Mannhold (1992), a combination of a log Kow values higher than 8 and molecular weights higher than 700 g/mol can be used to conclude that the test substance is unlikely to bioaccumulate.
These six main components can represent up to 100% of this UVCB; nevertheless, there may be minor components and residuals representing up to 3.6% (components 7 to 10, cf. log Kow data and Boundary Composition). None of these potential constituents fulfill PBT or vPvB criteria (cf. QSAR BCFBAF data and PBT/vPvB assessment). Therefore, it is not considered scientifically necessary to further investigate the bioaccumulation potential of these constituents.
Key value for chemical safety assessment
Additional information
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