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Diss Factsheets
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EC number: 272-940-1 | CAS number: 68921-45-9
- 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
Discussions on bioaccumulation potential
Key value for chemical safety assessment
- BCF (aquatic species):
- 1 754.04 L/kg ww
Additional information
The substance is a UVCB material with a wide variety of potential structures. As such, in order to gain a measure of the propensity towards bioaccumulation, an assessment of 50 potential structures that could be present was undertaken. These were selected at random for the purposes of the exercise.
The assessment was undertaken utilizing recognised QSAR derivation software as follows:
· BCF model (CAESAR) (version 2.1.11)
· BCF model (Meylan) (version 1.0.0)
· BCF Read-Across (version 1.0.0)
· US EPA On-Line EPI Suite™ v4.0 model BCFBAF
It is understood that Annex XI, section 1.3 allows adaptation of the standard testing requirements by making use of (Q)SAR only if the following conditions are met:
(i) results are derived from a (Q)SAR model whose scientific validity has been established,
(ii) the substance falls within the applicability domain of the (Q)SAR model,
(iii) results are adequate for the purpose of classification and labelling and/or risk assessment, and
(iv) adequate and reliable documentation of the applied method is provided.
Within the four models used, the conditions (i) through (iv) are considered to be met for two of the models:
· US EPA On-Line EPI Suite™ v4.0 model BCFBAF
· BCF Read-Across (version 1.0.0)
The structures assessed with these models were deemed to mainly fall within the applicability domain of the model, and this is demonstrated within the relevant QPRF’s. The models are recognized, and are referenced within ECHA’s own guidance and/or have relevant QMRF’s which are also detailed. Due to the fact that QSAR is utilised, these were assigned as Klimisch 2 level studies.
Within the four models used, the conditions (i), (iii) and (iv) are considered to be met for two of the models:
· BCF model (CAESAR) (version 2.1.11)
· BCF model (Meylan) (version 1.0.0)
Within these models, conditions (i) through (iv) where only fulfilled for certain molecules. For other molecules, condition (ii) was not fulfilled for a number of reasons. These included:
-
no similar compounds with known experimental value in the training set
were found
- accuracy of prediction for similar molecules found in the training set
was not optimal
- similar molecules found in the training set had experimental values
that strongly disagreed with the target compound predicted value
- the maximum error in prediction of similar molecules found in the
training set had a high value, considering the experimental variability
- some atom centered fragments of the compound had not been found in the
compounds of the training set or are rare fragments
- descriptors for certain compound had values outside the descriptor
range of the compounds of the training set
These studies were therefore assigned as Klimisch 3 level studies. They were considered suitable for inclusion in a weight of evidence approach in that where these did provide a value within the applicability domain, this was utilised for the calculation of the geometric mean.
As a result of these applications, the QSAR’s conducted all generally agree with each other that the substance is not bioaccumulative.
Overall
On the basis of a weight of evidence approach, there is sufficient information available to state that the substance is not bioaccumulative. Whilst it is not possible to provide a definitive BCF value for the substance, due to the variation in the results, none of the values determined via QSAR are above the threshold value quoted in the Regulation of 2000 or 5000 which indicates the potential to bioaccumulate. In order to derive a BCF for the purposes of dossier preparation, it is considered appropriate to utilise a geometric mean across the data set. The document “Guidance on information requirements and chemical safety assessment Chapter R.10: Characterisation of dose [concentration]-response for environment”states under section“R.10.2.2 Evaluation and interpretation of data”that:
Where there is more than one set of data on the same species, (strain if known), endpoint, duration, life stage and testing condition the greatest weight is attached to the most reliable and relevant one. When there is more than one set of data with the same reliability rating, it might be necessary tolook into more detail at the study reports to see whether a specific reason could explain the difference. If no explanation can be found and the results are for the same species and endpoints and are not more than one order of magnitude apart, they can be harmonised by a geometric mean.
A geometric mean BCF is therefore applied for the purposes of hazard assessment.
Endpoint study |
Result (BCF) [geometric mean] |
EPIWIN BCFBAF Results [L/kg] |
36.60 |
BCF Read-Across (version 1.0.0) [L/kg] |
348.83 |
BCF model (CAESAR) (version 2.1.11) [L/kg] |
1274.0 |
BCF model (Meylan) (version 1.0.0) |
95.0 |
Geometric Mean BCF overall |
1754.04 |
Whilst this mean result is presented as only a general indication, this supports the overall conclusion that the substance is not considered to be bioaccumulative. The substance is not considered to be “bioaccumulative” or “very bioaccumulative” on the basis of the available data.
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.