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Diss Factsheets
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EC number: 211-687-3 | CAS number: 686-31-7
- 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)
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- Run on 2012-01
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Remarks:
- The bioconcentration factor (BCF) of the test substance was evaluated with BCFBAF model v3.01 from EPI Suite v4.1, which fulfilled all OECD principles. Test substance is within the domain of the BCFBAF model based on the molecular weight and fragments present in the BCFBAF database, but the validity of the model for organic peroxides is unknown
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- See QMRF and QPRF in "Attached background material" and in "Any other information on materials and methods incl. tables" (the QMRF is only available for the former version of the QSAR model).
- GLP compliance:
- no
- Radiolabelling:
- no
- Test type:
- other: QSAR
- Type:
- BCF
- Value:
- 682 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: log BCF 2.83
- Validity criteria fulfilled:
- yes
- Conclusions:
- The BCF of the test substance was 682 L/Kg whole body weight, corresponding to a log BCF = 2.83.
- Executive summary:
The bioconcentration factor (BCF) of the test substance was evaluated with BCFBAF model v3.01 from EPI Suite v4.1, which fulfilled all OECD principles. Test substance is within the domain of the BCFBAF model based on the molecular weight and fragments present in the BCFBAF database.
The BCF of the test substance was 682 L/Kg whole body weight, corresponding to a log BCF = 2.83.
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- run on 2012-01
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited
- Remarks:
- The bioconcentration factor (BCF) of the test substance was evaluated with CAESAR model, which fulfilled all OECD principles. However, there is the presence of chemical features in the compound (peroxide) that might be associated with a lower reliability of the predicted value.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- See QMRF (and Table 1) and QPRF in "Attached background material"
- Radiolabelling:
- no
- Test type:
- other: QSAR
- Type:
- BCF
- Value:
- 59 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Log BCF 1.77. Note: There is the presence of chemical features in the compound (peroxide) that might be associated with a lower reliability of the predicted value.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The BCF of the test substance was 59 L/Kg whole body weight, corresponding to a log BCF = 1.77.
- Executive summary:
The bioconcentration factor (BCF) of the test substance was evaluated with CAESAR model, which fulfilled all OECD principles. The error of the prediction was about 0.5 Log unit, which is of the same range of the experimental variability. The performances of this model were better than those from the EPI Suite model for the same compounds. However, there is the presence of chemical features in the compound (peroxide) that might be associated with a lower reliability of the predicted value.
The BCF of the test substance was 59 L/Kg whole body weight, corresponding to a log BCF = 1.77.
Referenceopen allclose all
Log Kow (estimated) : 4.80
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 4.80
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s) value: No Applicable Correction Factors
Estimated Log BCF = 2.834 (BCF = 681.9 L/kg wet-wt)
See result obtained with QSAR in "Attached full study report".
Description of key information
BCFBAF and CAESAR models, used as a weight of evidence approach. The performances of the BCFBAF model were better than those from the CAESAR model for the test substance.
BCFBAF model, WoE, validity 2: BCF = 682 L/Kg.
Key value for chemical safety assessment
- BCF (aquatic species):
- 682 L/kg ww
Additional information
Two bioconcentration factor (BCF) predictions are available for the test substance. These predictions were performed with valid QSARs models and were used as a weight of evidence approach.
The first BCF prediction was evaluated with BCFBAF model v3.01 from EPI Suite v4.1, which fulfilled all OECD principles. Test substance is within the domain of the BCFBAF model based on the molecular weight and fragments present in the BCFBAF database. The BCF of the test substance was 682 L/Kg whole body weight, corresponding to a log BCF = 2.83.
The second BCF prediction was evaluated with CAESAR model, which fulfilled all OECD principles. The error of the prediction was about 0.5 Log unit, which is of the same range of the experimental variability. However, there is the presence of chemical features in the compound (peroxide) that might be associated with a lower reliability of the predicted value. The BCF of the test substance was 59 L/Kg whole body weight, corresponding to a log BCF = 1.77.
According to informations provided by these QSARs, the performances of the BCFBAF model were better than those from the CAESAR model for the test substance. The BCF value for chemical safety assessment of the test substance was evaluated to be 682 L/Kg, well below than the bioaccumulation (B) criterion.
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