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EC number: 203-312-7
CAS number: 105-59-9
SIgnificant accumulation in organisms 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. Furthermoreaccording
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 2,2'-methyliminodiethanol
105-59-9) (Q)SAR results were used for aquatic 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.
and for reasons of animal welfare, further experimental studies on
aquatic bioaccumulation are not provided.
experimental data on the bioaccumulation potential of 2,2'-methyliminodiethanol are
available. 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) for the
compound. 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.
Summary of relevant information on
aquatic bioaccumulation: Predicted BCF values for applied QSAR models
sorted by BCF:
(AD = Applicability Domain)
Substance CAS 105-59-9
BCF KNN/Read-Across v1.1.0 (VEGA v1.1.3)
The maximum error in prediction of similar molecules found in the training set has a high value, considering the experimental variability
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation
The substance appreciably ionizes at physiologically relevant pH
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero
US EPA T.E.S.T. v4.2.1: Bioaccumulation: Consensus method
Based on the mean absolute errors of the models compared to the training set data, the confidence in the predicted results is high.
BCF baseline model v.02.09 (OASIS Catalogic v5.11.19): incl. mitigating factors
Meylanv1.0.3 (VEGA v1.1.3)
- reliability of log P value used by the model is not adequate
- LogP of this compound is outside the defined range [-1.37,11.26]
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. (1997/1999)
CAESAR v2.1.14 (VEGA v1.1.3)
The following relevant fragments have been found: Tertiary amine (SR05); OH group (PG 06) The tertiary amines fragment has been found in a number of non-bioaccumulative molecules even with high log Pow values. In addition, the OH group increases the hydrophilicity of a compound which is related to lower values of BCF.
BCF baseline model v.02.09 (OASIS Catalogic v5.11.19): not considering mitigating factors
all models applied for 2,2'-methyliminodiethanol,
the estimated BCF values range from 0.9 to 9.0 L/kg. Based on the
available information on the log Kow (log
-1.16; measured; BASF SE, 2011; report no. 10L00407) and supported by
Weight of Evidence approach from calculated data it can be concluded
that significant accumulation of 2,2'-methyliminodiethanol (105-59-9)
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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