Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 221-244-6 | CAS number: 3040-44-6
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Significant accumulation 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-piperidinoethanol (CAS 3040-44-6) (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:
Considering all models applied for the test substance, the estimated BCF values range from 1.02 to 10.72 L/kg. The substance was within the applicability domain of all estimation models.
- A BCF calculation using the BCF base-line model v.04.11 (OASIS CATALOGIC v.5.14.1.5) is available. The model estimated a BCF of 10.72 L/kg without considering mitigation factors. But, water solubility, metabolism, and, for a minor part, molecular size reduce the log BCF to 2.69 L/kg as estimated by the model. The test substance is to 100% within the applicability domain of the model (BASF SE, 2021). These results were selected as key results.
- BCFBAF v3.01 (EPI Suite v.4.11): Based on the measured log Kow of 0.62 (BASF AG, 1993), a BCF value of 3.2 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. Using the Arnot &Gobas (2003) method with included biotransformation rate estimates, the BCF was calculated to be 1.02 L/kg (BASF SE, 2018). Although the substance was within the applicability domain of this submodel, the estimation may be less accurate due to the substance's property to appreciably ionize at physiological pH.
- T.E.S.T. v.4.2.1 (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 3040-44-6, the predicted BCF values range from 1.58 to 5.53 L/kg. The Consensus method resulted in a BCF of 2.95 (BASF SE, 2018). 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.
Based on the estimated BCF values, it can be concluded that significant accumulation of CAS 3040-44-6 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.
