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EC number: 942-754-1 | 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 fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- Type of information:
- mixture rules calculation
- Adequacy of study:
- key study
- Study period:
- From 02 November 2021 to 22 November 2021
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Each constituent of the test item does not completely fall within the applicability domain of the QSAR model used to determine their individual ACUTE TOXICITY TO FISH (96-HOUR LC50). Their toxicity values were extrapolated.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 203 (Fish, Acute Toxicity Test)
- Deviations:
- yes
- Remarks:
- (tested according to the Water Accommodated Fraction (WAF) approach, i.e. OECD technical guideline 23)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method C.1 (Acute Toxicity for Fish)
- Deviations:
- yes
- Remarks:
- (tested according to the Water Accommodated Fraction (WAF) approach, i.e. OECD technical guideline 23)
- Principles of method if other than guideline:
- The ACUTE TOXICITY TO FISH (96-HOUR LL50) was determined using iSafeRat® calculation method adapted for a mixture of compounds with the Mechanism of Action (MechoA) in question (MechoA 1.1, i.e. non-polar narcosis) (Bauer et al., 2018). This method has been published for acute exposure of non-polar narcosis compounds (Bicherel and Thomas, 2021). The algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004, 2007). The QSAR model is based on validated data for a training set of 67 chemicals derived from 96-hour test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the lethal loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the nonbioavailable fraction, this approach is based on validated data derived from 96-hour tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period.
- GLP compliance:
- no
- Remarks:
- Calculation method
- Specific details on test material used for the study:
- Predicted Subcooled liquid Water Solubility : 2.32 mg/L at 25 °C (Kreatis, 2021)
Melting point: 65°C (Lange 2015)
Log Kow : 5.09 at 25°C (Firmenich, 2013) - Analytical monitoring:
- no
- Details on sampling:
- Not applicable
- Vehicle:
- no
- Details on test solutions:
- Not applicable
- Test organisms (species):
- not specified
- Test type:
- other: Calculation method based on QSAR model predictions
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- Hardness:
- The QSAR model is based on data from studies performed at acceptable hardness to ensure control survival.
- Test temperature:
- The temperatures varied from approximately 20 to 23 °C depending on the species used to construct the algorithm. This small difference is not expected to contribute to the variability of the EC50 values found in experimental data.
- pH:
- Test results were taken from studies with measured pHs between 6 - 9.
- Dissolved oxygen:
- The QSAR model is based on data from reliable studies performed at acceptable oxygen concentrations (generally >60%).
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Studies were used for QSAR model development only where sufficient evidence was presented to determine that the stubstance was stable under test conditions (i.e. maintened within ± 20 % of the nominal) or, if not, the result was based on measured concentrations as geometric mean.
- Details on test conditions:
- Studies with various test designs were selected for QSAR model development. Preferentially results from semi-static studies were used. However, substances tested using a static design were accepted (preferably accompanied by analytical measurements over the study period). For suspected volatile substances only tests performed in closed vessels were accepted unless accompanying analytical monitoring proved such a design was not necessary.
- Reference substance (positive control):
- not required
- Remarks:
- Calculation method
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 2.73 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- other: loading rate of Water Accomodated Fraction (WAF)
- Basis for effect:
- mortality (fish)
- Remarks on result:
- not determinable
- Details on results:
- Using a loading rate of 2.73 mg/L, i.e. at the maximal solubility of the test item in water, and after removal of the nonbioavailable fraction, the remaining solubilised fraction is not sufficient to exert any toxicity effect. Therefore it is not possible to determine a toxic value below the water solubility limit.
The result below is the anticipated toxicity value during a 96-hour LL50 study on fish based on the typical compositionof the test item. The 96-hour LL50 is calculated as follows:
Composition Time (h) LL50 (mg test item/L)
typical 96 > solubility limit - Results with reference substance (positive control):
- Not applicable
- Sublethal observations / clinical signs:
Prior Analysis of the MechoA constituents of the test item.
The calculation method used in this study is based on toxic additivity principle. That means the toxic parts of each constituent are added up. Therefore the constituents considered within the mixture should act with a similar MechoA. The MechoA of the consituents are determined using the methodology described by Bauer et al. (2018) and reported in the Table below.
MechoA of the constituents.
Constituents
MechoA
Description
Isomer 1
1.1
non-polar narcotic
Isomer 2
1.1
non-polar narcotic
Isomer 3
1.1
non-polar narcotic
Since the constituents of the test item act with the same general MechoA, the calculation method is directly applicable- Validity criteria fulfilled:
- yes
- Conclusions:
- The ACUTE TOXICITY TO FISH (96-HOUR LL50) of the test item has been determined using the iSafeRat® calculation method for mixtures tested according to the Water Accomodated Fraction (WAF) approach. Each constituent of the test item does not completely fall within the applicability domain of the QSAR model used to determine their individual ACUTE TOXICITY TO FISH (96-HOUR LC50). Their toxicity values were extrapolated.
However, each constituent of the test item acts with the same general MechoA. Therefore the calculation method is directly applicable and the final result for the test item can be considered valid for use in risk assessment and classification and labelling. Therefore, the final result for the test item is considered as an extrapolation (reliable with restrictions). The result remains valid for use in risk assessment and classification and labelling. The ACUTE TOXICITY TO FISH (96-HOUR LL50) of the test item tested according to the WAF method was redicted as greater than the solubility limit. - Executive summary:
A calculation method prediction was used to assess the ACUTE TOXICITY TO FISH (96-HOUR LL50) of the test item, a multiconstituent substance, tested according to the Water Accommodated Fraction (WAF) approach. This calculation method predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 203, "Fish Acute Toxicity Test" (OECD, 2019), referenced as Method C.1 of Commission Regulation No. 440/2008 (European Commission, 2008) adapted for testing of a mixture using the WAF method.
The ACUTE TOXICITY TO FISH (96-HOUR LL50) was determined using iSafeRat® calculation method adapted for a mixture of compounds with the Mechanism of Action (MechoA) in question (MechoA 1.1, i.e. non-polar narcosis) (Bauer et al., 2018). This method has been published for acute exposure of non-polar narcosis compounds (Bicherel and Thomas, 2021). The algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004, 2007). The QSAR model is based on validated data for a training set of 67 chemicals derived from 96-hour test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the lethal loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the nonbioavailable fraction, this approach is based on validated data derived from 96-hour tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period.
Each constituent of the test item does not completely fall within the applicability domain of the QSAR model used to determine their individual ACUTE TOXICITY TO FISH (96-HOUR LC50). Their toxicity values were extrapolated.
However, each constituent of the test item acts with the same general MechoA. Therefore the calculation method is directly applicable and the final result for the test item can be considered valid for use in risk assessment and classification and labelling. Therefore, the final result for the test item is considered as an extrapolation (reliable with restrictions). The result remains valid for use in risk assessment and classification and labelling.The criterion predicted was the median lethal loading rate of the mixture LL50 (Median Lethal Loading), a statistically derived loading rate which is expected to cause mortality in 50% of test animals within a period of 96 hours
The ACUTE TOXICITY TO FISH (96-HOUR LL50) of the test item tested according to the WAF method was predicted as greater than the solubility limit.
Reference
Description of key information
calculation method, KREATiS 2021
96h-LL50 greater than the solubility limit (2.7 mg/L )
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- > 2.7 mg/L
Additional information
To assess the short-term toxicity of the registered substance to fish, one data point is available.
This value (KREATiS, 2021) is assessed as a key datapoint This calculation method prediction (iSafeRat v1.9) was performed on the registered substance, to assess the acute toxicity of the substance to fish.
A calculation method prediction was used to assess the ACUTE TOXICITY TO FISH (96-HOUR LL50) of the test item, a multiconstituent substance, tested according to the Water Accommodated Fraction (WAF) approach. This calculation method predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 203, "Fish Acute Toxicity Test" (OECD, 2019), referenced as Method C.1 of Commission Regulation No. 440/2008 (European Commission, 2008) adapted for testing of a mixture using the WAF method.
The ACUTE TOXICITY TO FISH (96-HOUR LL50) was determined using iSafeRat® calculation method adapted for a mixture of compounds with the Mechanism of Action (MechoA) in question (MechoA 1.1, i.e. non-polar narcosis) (Bauer et al., 2018). This method has been published for acute exposure of non-polar narcosis compounds (Bicherel and Thomas, 2021). The algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004, 2007). The QSAR model is based on validated data for a training set of 67 chemicals derived from 96-hour test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the lethal loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the nonbioavailable fraction, this approach is based on validated data derived from 96-hour tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period.
Each constituent of the test item does not completely fall within the applicability domain of the QSAR model used to determine their individual ACUTE TOXICITY TO FISH (96-HOUR LC50). Their toxicity values were extrapolated.
However, each constituent of the test item acts with the same general MechoA. Therefore the calculation method is directly applicable and the final result for the test item can be considered valid for use in risk assessment and classification and labelling. Therefore, the final result for the test item is considered as an extrapolation (reliable with restrictions). The result remains valid for use in risk assessment and classification and labelling.
The criterion predicted was the median lethal loading rate of the mixture LL50 (Median Lethal Loading), a statistically derived loading rate which is expected to cause mortality in 50% of test animals within a period of 96 hours
The ACUTE TOXICITY TO FISH (96-HOUR LL50) of the test item tested according to the WAF method was predicted as greater than the solubility limit.
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