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EC number: 203-312-7
CAS number: 105-59-9
to solid phase of the 2,2'-methyliminodiethanol (CAS
105 -59 -9) is not expected
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. Furthermore, according to Article
25 of the same Regulation testing on vertebrate animals shall be
undertaken only as a last resort.
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.
the assessment of the 2,2'-methyliminodiethanol (CAS
105 -59 -9) (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.
further experimental studies on the adsorption potential are not
order to assess the adsorption potential of the substance, the Koc
was estimated using QSAR models. According to the MCI method of the
KOCWIN v2.00 module of EPI Suite v4.11, 2,2 -Methylaminodiethanol
(CAS 105 -59 -9) has
a Koc of
1.0. 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 (measured logKow:
-1.16 at 23 °C, pH 10.5, BASF SE, Rep. 10L00407, 2011). The
latter method resulted in a Koc of
0.16. These estimates are representative for uncharged molecules;
the substance is within the applicability domain of the estimation
environmentally relevant conditions, 2,2 -Methylaminodiethanol (CAS
105 -59 -9)
is present in ionized form (pKa=
8.68 SRC PhysProp, 2017, 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
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
the log Kow for
the uncharged molecule. The
resulting Koc at
pH 5 is 43 L/kg (log Koc:1.63) at pH 7 is 42 L/kg (log
1.62) and Koc value at pH 8 is 38 L/kg (log Koc: 1.58).
can be concluded that adsorption to the solid soil phase is not
expected under environmentally relevant conditions.
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