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Diss Factsheets
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EC number: - | 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:
- mixture rules calculation
- Adequacy of study:
- key study
- Study period:
- 03 January 2022
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
- 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 DAPHNIDS (48-HOUR EL50) was determined using SafeRat® 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 previously been validated in an internal publication for acute exposure of non-polar narcosis compounds (Bicherel and Thomas, 2014). The algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004b, 2007). The QSAR model is based on validated data for a training set of 58 chemicals derived from 48-hour test on daphnids, 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, this approach is based on validated data derived from 48-hour tests on daphnid, for which the concentrations of the test item had been determined by chemical analyses over the test period.
- GLP compliance:
- no
- Remarks:
- (calculation method)
- Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- No difference in terms of toxic mechanism of action between invertebrate (or indeed other) aquatic species is expected. Any observed differences may be attributed to lifestyle related parameters (e.g. shell closing in molluscs) and relative duration of study versus bodysize rather than to a specific toxic mechanism causing species differences.
- Test type:
- other: calculation method based on QSAR model predictions
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- Only results from a test duration of 48 hours were included in the training set of the model.
- Post exposure observation period:
- None
- 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
- Conductivity:
- 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
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EL50
- Effect conc.:
- 4.4 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- other: loading rate of Water Accomodated Fraction (WAF)
- Basis for effect:
- mobility
- Remarks on result:
- not determinable
- Results with reference substance (positive control):
- not applicable
- Validity criteria fulfilled:
- yes
- Conclusions:
- The ACUTE TOXICITY TO DAPHNIDS (48-HOUR EL50) 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 DAPHNIDS (48-HOUR EC50). 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.
- Executive summary:
A calculation method was used to assess the ACUTE TOXICITY TO DAPHNIDS (48-HOUR EL50) of the test item, a Natural Complex 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. 202, "Daphnia sp., Acute Immobilisation Test" (OECD, 2004a), referenced as Method C.2 of Commission Regulation No. 440/2008 (European Commission, 2008) adapted for testing of a mixture using the WAF method. The criterion predicted was the median effective loading rate of the mixture EL50 (Median Effect Loading), a statistically derived loading rate which is expected to cause immobility in 50% of test animals within a period of 48 hours.
The ACUTE TOXICITY TO DAPHNIDS (48-HOUR EL50) 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 previously been validated in an internal publication for acute exposure of non-polar narcosis compounds (Bicherel and Thomas, 2014). The algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004b, 2007). The QSAR model is based on validated data for a training set of 58 chemicals derived from 48-hour test on daphnids, 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, this approach is based on validated data derived from 48-hour tests on daphnid, 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 DAPHNIDS (48-HOUR EC50). Not all the constituents share the same MechoA (i.e. MechoA 1.1). 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 DAPHNIDS (48-HOUR EL50) of the test item was predicted as a loading rate of 4.4 mg/L.
95% confidence interval (α = 0.05): not determined.
Reference
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.
constituents | MechoA | Description |
const1 | 1.1 | non-polar narcotic |
const2 | 1.1 | non-polar narcotic |
const3 | 1.1 | non-polar narcotic |
const4 | 1.1 | non-polar narcotic |
const5 | 3.2 | soft electrophile reactivity |
const6 | 1.1 | non-polar narcotic |
const7 | 1.1 | non-polar narcotic |
const8 | 1.1 | non-polar narcotic |
const9 | 1.1 | non-polar narcotic |
const10 | 3.1 | hard electrophile reactivity |
const11 | 3.2 | soft electrophile reactivity |
const12 | 1.1 | non-polar narcotic |
const13 | 3.1 | hard electrophile reactivity |
const14 | 3.1 | hard electrophile reactivity |
const15 | 1.1 | non-polar narcotic |
const16 | 1.1 | non-polar narcotic |
const17 | 1.1 | non-polar narcotic |
const18 | 1.1 | non-polar narcotic |
const19 | 1.1 | non-polar narcotic |
Not all the constituents share the same MechoA (i.e. MechoA 1.1). Some constituents are classified for having another MechoA than MechoA 1.1. However the toxicity of the test item is used in a calculation method based on additivity approach. To apply the calculation method to the test item, all the constituents were considered as following a mechanism of toxic action of non-polar narcosis (i.e. MechoA 1.1) prior to predict their individual aquatic toxicity. Therefore, the global result is considered as reliable with restrictions (mechanism domain).
Posterior Analysis of the WAF composition at the toxicity value (E/LL50) for the typical composition.
The Pareto chart within the study report hightlights the importance of each constituent in order to explain the global toxicity of the WAF of the mixture for the toxic loading rate (E/LL50). It indicates limonene explains ca. 70% of the test item toxicity.
Description of key information
Calculation method , KREATIS, 2022 :
48h-EL50 = 4.4 mg/L (95% confidence interval: no determined)
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Dose descriptor:
- EC50
- Effect concentration:
- 4.4 mg/L
Additional information
To assess the short therm toxicity of the registered substance to aquatic invertebrates one QSAR prediction (KREATIS, 2022) is available.
A calculation method was used to assess the ACUTE TOXICITY TO DAPHNIDS (48-HOUR EL50) of the test item, a Natural Complex 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. 202, "Daphnia sp., Acute Immobilisation Test" (OECD, 2004a), referenced as Method C.2 of Commission Regulation No. 440/2008 (European Commission, 2008) adapted for testing of a mixture using the WAF method. The criterion predicted was the median effective loading rate of the mixture EL50 (Median Effect Loading), a statistically derived loading rate which is expected to cause immobility in 50% of test animals within a period of 48 hours.
The ACUTE TOXICITY TO DAPHNIDS (48-HOUR EL50) 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 previously been validated in an internal publication for acute exposure of non-polar narcosis compounds (Bicherel and Thomas, 2014). The algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004b, 2007). The QSAR model is based on validated data for a training set of 58 chemicals derived from 48-hour test on daphnids, 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, this approach is based on validated data derived from 48-hour tests on daphnid, for which the concentrations of the test item had been determined by chemical analyses over the test period.
Each constituents of the test item which have been considered fall within the applicability domain of the model used to determine their individual TOXICITY TO ALGAE (72-HOUR ErL50 and NOELr). Not all the constituents were identified with the same MechoA (i.e. MechoA 1.1: non-polar narcosis). However the toxicity of the test item is determined by using a calculation method based on additivity approach for MechoA 1.1. To apply the calculation method to the test item, all the constituents were considered as non-polar narcotic prior to predict their individual aquatic toxicity. Therefore, the global result is considered as reliable with restrictions (mechanism domain).
The ACUTE TOXICITY TO DAPHNIDS (48-HOUR EL50) of the test item was predicted as a loading rate of 4.4 mg/L.
95% confidence interval (α = 0.05): not determined.
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