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EC number: 220-006-9
CAS number: 2601-33-4
Adsorption Coefficient. For the following reasons, no determination of
Adsorption Coefficient was possible by Method C19 of Commission
Directive 2001/59/EC (which constitutes Annex V of Council Directive
Sewage Treatment plants usually operate between pH 5.5 and 7.5. For
this reason, testing is usually carried out within this pH range.
However, at this pH, the quaternary amine group present in the test
material would be in its ionised form. Experience has shown that
positively charged nitrogens can interact with the stationary phase of
the column by forces other than partitioning. This was to be the case
for this material in method development investigations, The test
material could not be eluted from the analytical colurnn.
More importantly, the test material was shown to be significantly
surface active in the partition coefficient test. The determination of
Adsorption coefficient by HPLC estimation is not suitable for surface
Quantitive Structure Activity Relationships (QSAR'S), detailed in the
Technical Guidance Document (TGD), can be unreliable for cationic amines
and derivatives of these and therefore were not used in the estimation
of adsorption coefficient. Although correction factors can be applied,
it has been demonstrated through experience that they can significantly
under estimate the adsorption coefficient of cationic substances.
Therefore, due to the above, the adsorption coefficient of the test
material was estimated using specialist chemical estimation software.
Using fragment constant methodology, the adsorption coefficient of the
test material has been estimated to be 2.84 x 103, log10Koc
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