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EC number: 202-844-7 | CAS number: 100-36-7
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Significant bioaccumulation in organisms is not to be expected.
Key value for chemical safety assessment
Additional information
QSAR-disclaimer:
In 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.
According 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.
For the assessment of 2 -Aminoethyldiethylamine (CAS 100 -36 -7) (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.
Therefore, and for reasons of animal welfare, further experimental studies on aquatic bioaccumulation are not provided.
Assessment:
No studies are available for the bioaccumulation assessment of the substance. According to Regulation (EC) 1907/2006 Annex IX, Section 9.3.2, Column 2, a study on bioaccumulation does not need to be conducted as the substance has a low potential for bioaccumulation. The substance has an experimentally determined log Kow of 0.1 (at 23 °C, pH 11; BASF AG 1999, report no.: 98L00765, see IUCLID Ch. 4.7) and an experimentally determined log Kow of < -3.1 at environmentally relevant pH (at pH 7.2, 25 °C, BASF AG, report no.: 22721, see IUCLID Ch. 4.7) . Regarding these values, accumulation of the substance in organisms is not to be expected. Therefore, and for reasons of animal welfare, a study on bioaccumulation is not provided.
No experimental data on the bioaccumulation potential of 2 -aminoethyldiethylamine (CAS 100 -36 -7) are available. In order to assess the bioaccumulation potential of the substance, BCF values were 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.
Summary of relevant information on aquatic bioaccumulation: Predicted BCF values for applied QSAR models sorted by BCF (AD = Applicability Domain):
Model |
BCF [L/kg] |
In AD |
Restraints |
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.961 |
no |
The calculation methods may be less accurate, due to the substance's property to appreciably ionize at physiological pH. |
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, excl. biotransformation |
1.03 |
no |
The calculation methods may be less accurate, due to the substance's property to appreciably ionize at physiological pH. |
US EPA T.E.S.T. v4.2.1: Consensus method |
1.34 |
yes |
- |
CAESAR v.2.1.14 (VEGA v1.1.5) |
2 |
yes |
- |
BCF base-line model v3.10 (OASIS Catalogic v5.13.1): Considering all mitigating factors |
2.45 |
yes |
- |
Meylan v1.0.3 (VEGA v1.1.5) |
3.16 |
yes |
- |
KNN/Read-Across v1.1.0 (VEGA v1.1.5) |
3.16 |
yes |
- |
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. (1997/1999) |
3.16 |
yes |
- |
BCF base-line model v3.10 (OASIS Catalogic v5.13.1): Without considering any mitigating factors |
10.3 |
yes |
- |
Considering all models applied, the estimated BCF values range from 0.961 to 10.3 L/kg. Based on the available information on the log Kow (log Kow = 0.1 at pH 11, 23 °C; measured, BASF AG 1999, report no.: 98L00765) significant accumulation of 2 -aminoethyldiethylamine in organisms is not to be expected. The weight-of-evidence approach from calculated data indicated BCF values to be far below 500 L/kg. It can be concluded that significant bioaccumulation of 2 -aminoethyldiethylamine (CAS 100 -36 -7) in organisms is not to be expected.
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