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EC number: 204-528-4
CAS number: 122-20-3
Significant adsorption to solid soil phase is not to be expected.
accordance to Column 2 of REACH Annexes VIII and IX a study on
adsorption 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
substance and its relevant degradation products decompose rapidly.
an experimentally determined n-octanol/water partition coefficient (log
Kow) of -0.015 (BASF AG, 1987).
order to assess the substance’s adsorption potential, the Koc value was
estimated using (Q)SAR models. According to the MCI method of the KOCWIN
v2.00 module of EPI Suite v4.11, 2-Propanol, 1,1',1''-nitrilotris- has
a Koc of 10. The MCI module is more reliable than the second method of
KOCWIN v2.00, which estimates the KOC based on the log Kow. The latter
method resulted in a Koc of 1.07, based on the measured log Kow of
-0.015 (BASF AG, 1987). These estimates are representative for uncharged
at environmentally relevant conditions, 2-Propanol, 1,1',1''-nitrilotris- will
be present in ionised form (pKa = 9.25). Therefore, the adsorption
coefficient was additionally calculated for the charged molecule at pH
5, 7, and 8 according to Franco & Trapp (2008, 2009, 2010). This pH
range is representative for 98% of the European soils. The resulting Koc
at pH 7 is 548 (log Koc 2.74) (range pH 5 to 8: 616 to 288). The
Franco & Trapp-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
on the available calculated data, significant adsorption to the solid
soil phase is not to be expected under environmentally relevant
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 2-Propanol, 1,1',1''-nitrilotris- (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
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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