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EC number: 201-162-7
CAS number: 78-96-6
Adsorption to the solid soil phase 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 MIPA (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
further experimental studies on the adsorption potential are not
accordance with column 2 of REACH Annexes VIII and IX, the study 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. MIPA
(CAS 78 -96 -6) has a log Kow of -0.93 ( BASF AG (1987); @23 °C) and is
readily biodegradable (DOW Chemical Company, 1998).
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, MIPA has a Koc
of 1.789 L/kg and a log Koc of 0.2525. 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 of -0.93; BASF AG
1987; @23 °C). The latter method resulted in a Koc of 0.9494 L/kg and a
log Koc of -0.0225. These estimates are representative for uncharged
environmentally relevant conditions, MIPA will be present in ionised
form (pKa = 9.62; Perrin, 1972). 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 34.0 L/kg and 33 L/kg at pH 8. The log Koc at pH 5 to 7 is
1.53 and 1.52 at pH 8.
can be concluded that adsorption to the solid soil phase is not to be expected.
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