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EC number: 201-162-7
CAS number: 78-96-6
Significant accumulation in organisms is not to be expected.
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
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.
assessment of MIPA (Q)SAR
results were used for bioaccumulation.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.
for reasons of animal welfare, further
experimental studies on bioaccumulationare
accordance with column 2 of REACH Annex IX, the study does not need to
be conducted since the substance has a log Kow less or equal than 3. MIPA
has a measured log Kow of -0.93(BASF
AG (1987); 23 °C).
in order to assess the bioaccumulation potential of the test substance,
the BCF was calculated with several estimation models. The table below
lists the applied (Q)SAR models, the estimated BCF values and basic
information on the applicability domain (AD). Detailed information on
the model’s results and the AD are given in the endpoint study records
of IUCLID Chapter 5.3.1. The selected models comply with the OECD
principles for (Q)SAR models.
of relevant information on aquatic bioaccumulation: Predicted BCF values
for applied QSAR models sorted by BCF (AD = Applicability Domain)
Calculation by Lyman et al. (1982)
No data given.
BCFBAF v3.01 (EPISuite v4.1): Arnot-Gobas BCF, upper trophic, incl. biotransformation estimates
As the substance ionizes at physiologically relevant pH, the estimation may be less accurate.
BCFBAF v3.01 (EPISuite v4.1): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero
US EPA T.E.S.T. v4.2.1
Based on the mean absolute errors of the Consensus model, the confidence in the predicted results is high.
CAESAR v2.1.14 (VEGA v1.1.3)
The substance could be out of the applicability domain of the model.
BCF KNN/Read-Across v1.1.0 (VEGA v1.1.3)
Meylan v1.0.3 (VEGA v1.1.3)
The substance could be out of the applicability domain of the model. Only moderately similar compounds with known experimental value in the training set have been found.
BCFBAF v3.01 (EPISuite v4.1): Meylan et al. (1997/1999)
all models applied the estimated BCF values range from 0.11 to 3.2 L/kg. Based
on the available information on the log Kow (log Kow = -0.93; measured;
BASF AG, report no. BRU 87.262, 1987) and supported by a
weight-of-evidence approach from calculated data, it can be concluded
that significant accumulation in organisms is not to be expected.
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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