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EC number: 228-567-1 | CAS number: 6297-03-6
- 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 of the test item (dioctadecyl ether, CAS 6297-03-6) in organisms is not to be expected.
Key value for chemical safety assessment
Additional information
A log Kow of 16.76 was estimated for the molecule, indicating potential for bioaccumulation. However, according to the REACH Guidance Document R11 (PBT Assessment), the BCF of substances with a log Kow of > 10 is probably lower than 2000 L/kg. Due to the lack of experimental data, the assessment of the bioaccumulation potential will be evaluated in a weight-of-evidence approach. Estimations of the BCF were performed with three different models.
- A
BCF calculation using the CATALOGIC v.5.11.6 BCF base-line model v02.05
is available for dioctadecyl ether (CAS 6297-03-6). The BCF model
calculates a BCF of 9.2 (log BCF = 0.96) using the estimated log Kow
value of 16.76 and the estimated water solubility of 2.5E-012 mg/L.
Furthermore, the influence of mitigating factors like ionization of the
molecule, water solubility, size and metabolism are also considered by
the model. Taking into account these mitigating factors the BCF is
reduced to 7.4 (log BCF = 0.87), mainly due to the low water solubility.
Besides water solubility also metabolism and the molecular size reduce
the log BCF as estimated by the model. Water solubility and molecular
size is discussed within the literature whether certain threshold values
are suitable as cut-off criteria for indication of limited
bioaccumulation. Regarding molecular size, the PBT working group on
hazardous substances discussed a maximum diameter of > 17.4 Å (Comber et
al., 2006).The maximum diameter of the test item is determined to be
4.57 - 48.74 Å, depending on its conformation. Due to the high log Kow
(out of the parametric domain), the test substance is not to 100% within
the applicability domain of the model (BASF, 2012).
- EPISuite v4.1/BCFBAFv3.00: A BCF value of 3.2 (log BCF = 0.5) was estimated on the basis of the log Kow of 16.76. Using the Arnot-Gobas method including biotransformation rates the BCF for the upper trophic level was estimated at 0.9 (log BCF = -0.049) (BASF, 2012).
- T.E.S.T.v4.01 (US EPA model): Cluster models of the Hierarchical method, the Single Model method, Group Contribution method, the FDA method and the Nearest Neighbor method were applicable to the test item (input of log Kow and water solubility not necessary). The methods were validated by US EPA using statistical external validation using separate training and test data sets. The Consensus method averages the reasonable results from all applicable models. Following EPA, the Consensus method yields the best results in terms of prediction accuracy and coverage. Regarding the test item, the predicted BCF values of the applicable cluster models ranged from 4 to 14791. The BCF result of the Consensus method was 78.4 (log BCF = 1.89) (BASF, 2012).
CONCLUSIONS
The three separate estimation models (CATALOGIC v5.11.2, BCFBAF v3.01
and T.E.S.T v4.01) calculate maximum BCF values between 3.2 and 78.4.
Considering mitigating factors like biotransformation, water solubility
and molecular size, there is low potential for bioaccumulation. In
addition, due to the very low water solubility exposure of aquatic
organisms to significant amounts is unlikely. Therefore, unacceptable
risks due to possible bioaccumulation are not expected.
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