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EC number: 221-130-6
CAS number: 3010-02-4
Adsorption to the solid soil phase is not to be 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 (diethylamino)acetonitrile (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
of adsorption potential:
Koc of (diethylamino)acetonitrile (CAS 3010-02-4) was estimated using
the log Kow and MCI method of KOCWIN v2.00 implemented in EPI Suite
v4.11. Both estimates refer to the uncharged molecule (BASF SE, 2015):
Using the Molecular Connectivity Index (MCI), which is regarded as more
reliable compared to the log Kow method, the log Koc for the uncharged
molecule was estimated to be 1.3 (Koc = 19.9 L/kg; substance within the
applicability domain of the model).
Using the log Kow method the log Koc was estimated to be 1.6 (Koc = 35.5
L/kg), based on the calculated log Kow of 0.54 (estimated by KOWWIN
v.1.68 implemented in Episuite v4.11). The substance was within the
applicability domain of the model.
a pKa value of 4.55 indicates that the molecule will primarily exist as
an anion in the environment. The adsorption of molecules to soils
containing organic carbon and clay is generally influenced by their
degree of ionization. As the KOCWIN-model does not consider the ionic
structure of molecules, estimations of the adsorption to organic carbon
by this model only refers to the uncharged molecule. In a calculation
conducted according Franco & Trapp (2008, 2009 & 2010), a pH-corrected
log Koc value of 1.59 (charged molecule at pH 7) was calculated.
to the charged molecule at pH 7, the substance is not expected to adsorb
to the solid soil phase.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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