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Adsorption / desorption

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Description of key information

Adsorption of the test item to the solid soil phase is not expected.

Key value for chemical safety assessment

Additional information


In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.


According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.


For the assessment of the substance, (Q)SAR results were used for the estimation of the adsorption potential. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.


Therefore, further experimental studies on the adsorption potential are not provided.


According to Regulation (EC) No 1907/2006, Annex VIII, Section 9.3.1, Column 2, the study on adsorption/desorption screening does not need to be conducted if based on the physicochemical properties the substance can be expected to have a low potential for adsorption (e.g. the substance has a low octanol water partition coefficient), or the substance and its relevant degradation products decompose rapidly.

The substance has a log Kow of 0.56 (KOWWIN v1.68; see IUCLID Ch. 4.7). Therefore, a study does not need to be conducted.

In addition the Koc value was estimated using QSAR models. According to the MCI method of the KOCWIN v2.00 module of EPI Suite v4.11, N-benzylethylenediamine (CAS 4152 -09 -4) has a Koc of 621 L/kg (log Koc = 2.79). The MCI module is more reliable than the log Kow method of KOCWIN v2.00, which estimates the KOC based on the n-octanol/water partition coefficient (log Kow = 0.56; KOWWIN v1.68; see IUCLID Ch. 4.7). The latter method resulted in a Koc of 15 L/kg (log Koc = 1.17). These estimates are representative for the uncharged molecule.


At environmentally relevant conditions, N-benzylethylenediamine will be present in ionised form (pKa = 9.41 at 25 °C; experimental database of SPARC Online calculator, see IUCLID Ch.4.21). Therefore, the adsorption coefficient was calculated according to Franco & Trapp (2008, 2009, 2010) to correct for the charged molecule at pH 5, 7, and 8. This pH range is representative for 98% of the European soils. The model is not yet validated; in addition, the applicability domain is not clearly defined. Nevertheless, the Koc values of the Franco & Trapp method give a good indication on the adsorption potential of a substance depending on the pH conditions of soil. The method is based on the dissociation constant pKa and the log Kow for the uncharged moelcule. The resulting Koc at pH 5 to pH 7 is 242 L/kg and at pH 8 236 L/kg. The log Koc at pH 5 to 7 is 2.38 and at pH 8 2.37.


It can be concluded that adsorption to the solid soil phase is not to be expected.

The Koc value at pH 7 will be used as key value, i.e. for PEC and PNEC calculations.