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Diss Factsheets
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EC number: 947-664-6 | 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2017-10-24 to 2017-11-14
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Calculation method is used ; calculation method applicable for the endpoint
- Justification for type of information:
- See attached documents for full details
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
- Deviations:
- yes
- Remarks:
- calculation method
- Principles of method if other than guideline:
- The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analyzable fraction of a WAF study.
Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents. In the calculation the second step is to remove this non-bioavailable fraction.
The final step is to determine the truly bioavailable fraction of the WAF per constituent. The EC50s of each constituent are predicted using the iSafeRat QSAR model. Each value as well as QMRF/QPRF are provided in the IUCLID. An additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.
The method has been validated using data derived from 48-hour EC50 tests on aquatic invertebrates, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the effective loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction. - GLP compliance:
- no
- Specific details on test material used for the study:
- None
- Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- other: calculation method
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- 48h-EL50 (effective loading rate of WAF)
- Post exposure observation period:
- not applicable
- Hardness:
- Hardness is not a necessary component of the WAF calculation
- Test temperature:
- The Temperature is not a necessary component of the WAF calculation.
- pH:
- The pH is not a necessary component of the WAF calculation
- Dissolved oxygen:
- The oxygen concentration is not a necessary component of the WAF calculation
- Salinity:
- Salinity is not a necessary component of the WAF calculation.
- Nominal and measured concentrations:
- The calculation determines measured concentrations
- Details on test conditions:
- calculation method
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EL50
- Effect conc.:
- 13 mg/L
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: Based on typical composition
- Details on results:
- not applicable
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- yes
- Conclusions:
- The following toxicity value has been found for the registered substance:
- 48h-EL50 = 13 mg/L - Executive summary:
The registered substance is a Natural Complex Substance (UVCB) with a well-defined composition. Its acute toxicity to aquatic invertebrates has been investigated using an in-house calculation method that replaces an OECD 202 study and guideline for Testing of Chemicals No. 23 (i.e. WAF conditions). The typical composition has been investigated.
The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analysable fraction of a WAF study. In the calculation the second step is to remove this non-bioavailable fraction. Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents.These two reasons explain why ecotoxicity values from WAF studies are always higher for non-polar narcotic mixtures than the calculated values from CLP additivity calculation.
The final step is to determine the truly bioavailable fraction of the WAF per constituent. The EC50s of each constituent were predicted using the iSafeRat QSAR model (and QPRF as well as the QMRF are provided). An additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.
The 48-h EL50 was predicted to be 13 mg test material/L.
Reference
Determination of the Analytically Measurable Aqueous Phase (AMAP).
Using the model, the specific concentration of each constituent in the WAF can be accurately determined at any loading rate taking into account the original composition of the mixture and the new corrected limit of solubility of each constituent. The sum of these concentrations, the AMAP, is equivalent to the concentration of all constituents that would be measured in a WAF test. For a given loading rate, the loaded concentration of each constituent is compared to its respective solubility limit. If one is higher than the solubility limit then it is considered that the concentration of the constituent will be equal to its solubility limit. If lower, the true loading concentration is considered. Provided this adapted water solubility limits for each consitutents. Analytically measurable concentrations in aqueous solutions expected from known WAF loading rates of characterised mixtures can be calculated.
At this 48-hour EL50 the expected concentrations of each constituent in the mixture (based on thermodynamic calculation) are as follows:
Analytically Measured Aqueous Phase (AMAP) calculated at the predicted EL50.
Constituents |
Concentration in the WAF (mg test item.L-1) |
|
constituent 1 |
4.36 |
|
constituent 2 |
0.0161 |
|
constituent 3 |
0.975 |
|
constituent 4 |
0.654 |
|
constituent 5 |
0.228 |
|
constituent 6 |
0.372 |
|
constituent 7 |
0.00100 |
|
constituent 8 |
0.167 |
|
constituent 9 |
0.000759 |
|
constituent 10 |
0.00164 |
Description of key information
Based on a calculation method, the following toxicity value has been found for the registered substance:
- 48h-EL50 = 13 mg test item/L
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 13 mg/L
Additional information
For that endpoint, one reliable study was available: an in-house calculation method that replaces an OECD 202 study and guideline for Testing of Chemicals No. 23 (i.e. WAF conditions). The typical composition of the substance has been investigated. The algorithm used for the purpose of this study is based on a QSAR model which has been validated to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004).
The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analysable fraction of a WAF study. In the calculation the second step is to remove this non-bioavailable fraction. Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents.
These two reasons explain why ecotoxicity values from WAF studies are always higher for non-polar narcotic mixtures than the calculated values from CLP additivity calculation.The final step is to determine the truly bioavailable fraction of the WAF per constituent. The EC50s of each constituent were predicted using the iSafeRat QSAR model (see table below) and the QMRF/QPRF have been attached to the dossier:
constituents |
48h-EC50(mg.L-1) used |
constituent 1 |
1.7 |
constituent 2 |
> solubility limit |
constituent 3 |
7.4 |
constituent 4 |
7.9 |
constituent 5 |
1.1 |
constituent 6 |
99 |
constituent 7 |
> solubility limit |
constituent 8 |
3.8 |
constituent 9 |
> solubility limit |
constituent 10 |
> solubility limit |
Then, an additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.
The results below are the anticipated acute toxicity value anticipated during a 48-hour EL50 study on daphnids based on the WAF method. The 48-hour EL50 is calculated as follows:
Composition |
Time (h) |
EL50(mg test item.L-1) |
typical |
48 |
13 |
Based on the results of this study, the substance would not be classified as acute 1 to aquatic organisms in accordance with the classification of the CLP.
This toxicity study is considered as acceptable and can be used for that endpoint.
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.