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EC number: 445-790-1
CAS number: 404362-22-7
Worst case Log Dow of the most lipophilic constituent replaces the log Pow
The determination was carried according to EU Method A.8. As the test
material was a mixture and showed surface-activity, the shake-flask
method was not valid. Therefore, an HPLC estimation determination was
performed, adjusting the mobile phase pH to eliminate ionization and
therefore reduce surface activity. The Pow was determined to be
>1.59E06, log Pow >6.20. However, computer estimations indicated
possible overestimation of partition coefficient for a number of
components possibly due to secondary interactions between the
surface-active test material and the analytical column.
By definition log Pow is an intrinsic property of the neural molecule.
The submission item constituents are subject to ionization. Therefore
the log Pow is an inappropriate figure for the environmental behaviour
and should be replaced by the highest Dow of the components within the
environmentally relevant range (i.e. pH 5 to 9). These calculations are
available from the section on Bioaccumulation. Log D data as computed by
Marvin Sketch version 5.3.6 are generally increasing with pH.
Accordingly the values at pH 9 are considered relevant, which are 1.22,
3.38 and 3.45 for constituents 1, 2 and 3, respectively.
In conclusion the value for worst case calculations of the environmental
fate modelling is Log Dow (pH 9) 3.45. Is has to be mentioned that this
level belongs not to the most important constituent, but a minor one.
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