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EC number: 936-831-9 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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 multi constituent the potential for bioaccumulation for the two main components was assessed with several QSAR tools - (1) Catalogic, (2) T.E.S.T., (3) EPISuite BCFBAF, (4) VEGA CAESAR and (5) the UBA approach comprising several estimation algorithms based on logKow.
SMILES | BCF | QSAR model | Remarks |
CCCCCCCCCCCCCCCCCC(=O)OCC1(COC2(CC(N(C(C2C)(C)CC)OC(=O)C)(C)CC)OC1)CC | 7.43 | Catalogic | 73.33% in domain |
12.72 | T.E.S.T. | Consensus method; component within applicability domain | |
43.1 | EPISuite | regression-based estimation | |
3 | VEGA | component out of applicability domain | |
n.a. | UBA | the logKow of the component is not within the range of any of the models | |
CCCCCCCCCCCCCCCC(=O)OCC1(COC2(CC(N(C(C2C)(C)CC)OC(=O)C)(C)CC)OC1)CC | 7.44 | Catalogic | 72.09% in domain |
12.08 | T.E.S.T. | Consensus method; component within applicability domain | |
33 | EPISuite | regression-based estimation | |
3 | VEGA | component out of applicability domain | |
n.a. | UBA | the logKow of the component is not within the range of any of the models |
All QSAR estimations - with the exception of some predictions of the UBA package - are clearly below a BCF of 100. The various models implemented in the UBA package are not reliable and should not be taken into account. Neither of these models are suitable for the prediction of the BCF for the two components because the log Kow values of the two components are not within the log Kow range of the specific models. The VEGA CAESAR model predicted values of 3. Nevertheless, the components are out of the model's applicability domain. The EPISuite BCFBAF tool comprises two estimation models. The regression-based estimation predicted BCF values of 43.21 and 33, respectively. This model does not take mitigating factors into account, e.g. metabolism, water solubility etc. The Arnot-Gobas model implemented in the BCFBAF tool takes metabolism into account and predicts BCF values for three trophic levels (upper, mid and lower). Neither of the predictions revealed values above a BCF of 3. Catalogic takes different mitigating factors into account as well (i.e. acids, metabolism, phenols, size and water solubility). The two components are within the model's applicability domain by around 73% and the predicted BCF values are < 10. Finally, the consensus method of T.E.S.T. revealed BCF values of around 12 for both components.
In conclusion, according to the results of the QSAR estimations, the bioaccumulation potential of the two main components of the multi consituent is supposed to be negligible and the BCF is expected to be clearly below 100.
This assumption is supported by the calculated log Kow of 12.08 and 11.10 respectively. According to ECHA's Guidance on information requirements and chemical safety assessment, chapter R.11: PBT Assessment, the log BCF increases linearly at log Kow values between 4 and 5 which is the basis for the B screening criterion. However, at very high log Kow values (>6) a decreasing relationship between the two parameters is observed and the aquatic BCF of a substance is probably lower than 2000 if the calculated log Kow is higher than 10. Therefore, the two components of the present multi constituent are not expected to to signifcantly bioaccumuate.
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 two main components have been taken into account. Regarding the average maximum diameter, the two components clearly exceed the value of 1.7 nm stated in the above mentioned guidance document with values of 2.8 and 2.6 nm, respectively. Therefore, the Dmax aver can be regarded as clear proof that the two components have a limited potential for uptake. It is therefore unlikely that the single components have a significant potential for bioaccumulation.
Regarding all available information in a weight of evidence approach, it is assumed that the multi constituent does not have a significant potential to bioaccumulate.
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