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EC number: 204-447-4
CAS number: 121-05-1
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. 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-aminoethyldiisopropylamine (CAS 121 -05 -1) (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.
accordance with column 2 of REACH Annex IX, the study need not be
conducted since the substance has a log Kow ≤ 3. The target substance
2-aminoethyldiisopropylamine (CAS 121 -05 -1) is under environmental
conditions mainly present in its charged, cationic form. The
experimental determined log Kow for the charged molecule is -0.64 at 25
°C, pH 7.2; for the uncharged molecule at pH 10.6 the log Kow is 1.07
(BASF, report no. 93P11293, 1993). In accordance with column 2 of Annex
IX, the study does not need to be conducted if the 1-octanol/water
partition coefficient is <3. Due to the low log Kow, accumulation in
organisms is not expected. Thus, and for reasons of animal welfare, no
study on bioaccumulation in fish is performed.
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 (AD = Applicability Domain)
BCFBAF v3.01 (EPI Suite v4.11):
Arnot-Gobas: upper trophic level,
The substance appreciably ionizes at physiologically relevant pH, the estimate may be less accurate.
US EPA T.E.S.T. v4.2.1:
Confidence in result is high.
CAESAR v2.1.14 (VEGA v1.1.3)
Only moderately similar compounds with known experimental value in the training set
Meylan v1.0.3 (VEGA v1.1.3)
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. (1997/1999)
BCF baseline model v02.09
(OASIS Catalogic v5.11.19):
incl. mitigating factors
Applicability domain: 100% parametric; 100% mechanistic; 70% structural
(OASIS Catalogic v5.11.19):
without mitigating factors
on the available information on the log Kow (log Kow = 1.07 at pH 10.6;
log Kow = -0.64 at pH 7.2) 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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