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EC number: 807-586-4
CAS number: 634602-80-5
estimations assume a Log Kow of 4.59 for the molecule indicating a
potential for bioaccumulation. In the following the assessment of the
bioaccumulation potential of CAS 634602 -80 -5 is based on estimations
of the BCF were performed with three different models. The results are
evaluated in a weight-of-evidence approach.
v5.11.17 – BCF base-line model v.02.09:
calculations using the CATALOGIC v. 5.11.17 BCF base-line model are
available for CAS 634602 -80 -5:
model was run to calculate the BCF. In doing so, the influence of
mitigating factors like ionization of the molecule, water solubility,
size and metabolism were considered also by the model. Taking into
account these mitigating factors the BCF was reduced to 6.61 (log BCF =
0.82). In this case the reduction of the BCF is mainly due to metabolism.
molecular size a cut-off value is discussed in the literature indicating
a limited bioaccumulation potential. The PBT working group on hazardous
substances discussed a maximum diameter of > 17.4 Å (Comber et al.,
2006). The DiamMax-Average of the structure is determined to be 17.890Å.
regression-based method for the ionic molecule (Meylan et al.
1997/1999), the BCF was estimated to be 11.59 L/kg for the structure
using the log Kow 4.59.
Arnot-Gobas upper trophic model including biotransformation predicted a
BCF of 172.2 L/kg for the substance.
calculations based on Arnot-Gobas upper trophic including
biotransformation indicate reduced potential for bioaccumulation
(BCF<500), the results of the Catalogic and BCFBAF calculations for the
“regression-based estimates” show a clear trend of a reduced
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