Registration Dossier
Registration Dossier
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EC number: 288-306-2 | CAS number: 85711-46-2
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
As the substance is a uvcb the BCF values were calculated for representative components with three different QSAR tools - (1) Catalogic, (2) US EPA T.E.S.T. and (3) EPISuite. The following components have been taken into account:
| SMILES | BCF | QSAR model |
| CCCCCCCCCCCCCCCCCC(=O)(O) | 29.16 | Catalogic |
| CCCCCCCCC=CCCCCCCCC(=O)(O) | 25.82 | Catalogic |
| C(CCC(=O)(O))CCCCC1C=CC(CCCCCC)C2C(=O)OC(=O)C12 | 41.18 | Catalogic |
| C(CCC(=O)(O))CCCCC1CCC(CCCCCC)C2C(=O)OC(=O)C12 | 36.54 | Catalogic |
| CCCCCCCCCCCCCCCCCC(=O)(O) | 22.59 | TEST |
| CCCCCCCCC=CCCCCCCCC(=O)(O) | 35.08 | TEST |
| C(CCC(=O)(O))CCCCC1C=CC(CCCCCC)C2C(=O)OC(=O)C12 | 9.05 | TEST |
| C(CCC(=O)(O))CCCCC1CCC(CCCCCC)C2C(=O)OC(=O)C12 | 9.05 | TEST |
| CCCCCCCCCCCCCCCCCC(=O)(O) | 10.00 | EPISuite |
| CCCCCCCCC=CCCCCCCCC(=O)(O) | 56.20 | EPISuite |
| C(CCC(=O)(O))CCCCC1C=CC(CCCCCC)C2C(=O)OC(=O)C12 | 56.20 | EPISuite |
| C(CCC(=O)(O))CCCCC1CCC(CCCCCC)C2C(=O)OC(=O)C12 | 56.20 | EPISuite |
None of the components revealed a potential to bioaccumulate in any of the QSAR models. The single values are clearly below a BCF of 100. No component could be identified with a significant potential to bioaccumulate.
Additionally, according to ECHA's Guidance on information requirements and chemical safety assessment, Chapter R.11: PBT Assessment, data on the average maximum diameter (Dmax aver) of the main components have been taken into account. The examined components clearly exceed the value of 1.7 nm of the above mentioned guidance document. It can therefore be assumed that the compounds have a limited potential for uptake and it is unlikely that the single components have a significant potential for bioaccumulation.
| SMILES | Dmax aver [nm] |
| CCCCCCCCCCCCCCCCCC(=O)(O) | 1.9 |
| CCCCCCCCC=CCCCCCCCC(=O)(O) | 2.0 |
| C(CCC(=O)(O))CCCCC1C=CC(CCCCCC)C2C(=O)OC(=O)C12 | 1.9 |
| C(CCC(=O)(O))CCCCC1CCC(CCCCCC)C2C(=O)OC(=O)C12 | 1.9 |
Regarding all available information in a weight of evidence approach, it is assumed that the uvcb substance does not have a significant potential to bioaccumulate.
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