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Diss Factsheets

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Link to relevant study record(s)

Description of key information

Significant accumulation of the substance 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 dibutylamine (CAS 111-92-2) (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. Dibutylamine (CAS 111-92-2) has an experimentally determined log Kow of 2.1 (23 °C, pH 12; BASF SE, 2010; rep. no.: 10L00037, see IUCLID Ch. 4.7). Regarding these values, accumulation of the test substance in organisms is not to be expected. Therefore, and for reasons of animal welfare, a study on bioaccumulation is not provided.

In order to assess the bioaccumulation potential of the substance, the BCF was calculated with several estimation models.

Considering all models applied for the substance, the estimated BCF values range from 5.75 to 46.02 L/kg. The substance was within the applicability domain of all estimation models.

- A BCF calculation using the BCF base-line model v03.10 (OASIS CATALOGIC v.5.13.1) is available. The model estimated a BCF of 46.02 L/kg without considering mitigation factors. But, metabolism, water solubility and, for a minor part, molecular size reduce the BCF to 5.75 L/kg as estimated by the model. The substance is to 100% within the applicability domain of the model (BASF SE, 2019).

- BCFBAF v3.01 (EPI Suite v4.11): Based on the measured log Kow of 2.1 (BASF SE, 2010), a BCF value of 11.3 L/kg was estimated with the submodel Meylan et al. (1997/1999). This BCF estimate can be regarded as accurate as the compound was within the applicability of the model, indicating that significant bioaccumulation in organisms is not to be expected.

- T.E.S.T. v4.2.1 (US EPA, 2016): The model is validated using statistical external validation using separate training and test data sets. The Consensus method averages the reasonable results from all applicable methods of T.E.S.T.: hierarchical clustering, single model, group contribution, FDA, and nearest neighbor. Regarding CAS 111-92-2, the predicted BCF values range from 5.87 to 85.25 L/kg. The Consensus method resulted in a BCF of 20.6 (BASF SE, 2019). The confidence in the results is high and the substance is within the applicability domain of the model. This applies to the external test set as well as to the training set.

- VEGA v1.1.3 Meylan v1.0.3: The BCF is estimated based on the calculated log Kow of: 2.83 (calculated by VEGA: Meylan/KOWWIN). The BCF value was predicted to be 34 L/kg. The substance was within the Applicability Domain; therefore, the result appears reliable.

 

Based on the available information on the log Kow and supported by a weight-of-evidence approach from calculated BCF data it can be concluded that significant accumulation of CAS 111-92-2 in organisms is not to be expected.