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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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- effects on growth of green algae
- Type of information:
- mixture rules calculation
- Adequacy of study:
- key study
- Study period:
- 08 December 2021 to 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 201 (Freshwater Alga and Cyanobacteria, Growth Inhibition 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 TOXICITY TO ALGAE (72-HOUR ErL50 and NOELr) 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 two QSAR models which have been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004, 2007). The QSAR models are based on validated data from a training set of 40 chemicals (for 72-hour ErC50) and 31 chemicals (for NOECr) derived from 72-hour test on algae, 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
- Remarks:
- (calculation method)
- Specific details on test material used for the study:
- not applicable
- Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- other: Pseudokirchneriella subcapitata, Desmodesmus subspicatus, Scenedesmus quadricauda
- Details on test organisms:
- No difference in terms of toxic mechanism of action between algae (or indeed other) aquatic species is expected. Any observed differences may be attributed to lifestyle related parameters and relative duration of study versus cell size 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:
- 72 h
- Remarks on exposure duration:
- Results from a test duration of 72 hours only were used for the models.
- 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 25 °C depending on the species used to construct the models. This small difference is not expected to significantly contribute to the variability of the values found in experimental data.
- pH:
- Test results were preferably taken from studies with measured pHs between 6 - 9. However it is recognized that in some cases (due to high luminosity) the pH may increase in the control and lower concentrations (which do not cause significant effect over the study period). This pH increase did not generally disqualify the study from being used in the test and validation set for non-polar chemicals.
- 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 measured initial concentration throughout the test) or, if not, the result was based on measured concentrations as geometric mean.
- Details on test conditions:
- Following the guideline OECD 201, all studies were from a static test design. 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:
- 72 h
- Dose descriptor:
- EL50
- Effect conc.:
- 5 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- other: loading rate of Water Accomodated Fraction (WAF)
- Basis for effect:
- growth rate
- Remarks on result:
- not determinable
- Duration:
- 72 h
- Dose descriptor:
- NOELR
- Effect conc.:
- 2.1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- other: loading rate of Water Accomodated Fraction (WAF)
- Basis for effect:
- growth rate
- Remarks on result:
- not determinable
- Results with reference substance (positive control):
- not applicable
- Validity criteria fulfilled:
- yes
- Conclusions:
- The TOXICITY TO ALGAE (72-HOUR ErL50 and NOELr) 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 model used to determine their individual TOXICITY TO ALGAE (72-HOUR ErC50 and NOECr). 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 TOXICITY TO ALGAE (72-HOUR ErC50 and NOECr) of the test item tested according to the WAF method was predicted as a loading rate of 5.0 mg/L for the 72-HOUR ErL50 and 2.1 mg/L for the NOELr based on the typical composition - Executive summary:
A calculation method was used to assess the TOXICITY TO ALGAE (72-HOUR ErL50 and NOELr) 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. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test" (OECD, 2006), referenced as Method C.3 of Commission Regulation No. 440/2008 (European Commission, 2008) adapted for testing of a mixture using the WAF method. The criterions predicted were the Median Effective Loading rate (ErL50), a statistically derived concentration which is expected to cause 50% inhibition of intrinsic rate of growth of the test system and the No Observed Effect Loading rate (NOELr), a tested loading rate which is expected to cause no effect on intrinsic rate of growth of the test system. Both criterions were determined for a period exposure of 72 hours.
The TOXICITY TO ALGAE (72-HOUR ErL50 and NOELr) 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 two QSAR models which have been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004, 2007). The QSAR models are based on validated data from a training set of 40 chemicals (for 72-hour ErC50) and 31 chemicals (for NOECr) derived from 72-hour test on algae, 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.
Each constituent of the test item does not completely fall within the applicability domain of the model used to determine their individual TOXICITY TO ALGAE (72-HOUR ErC50 and NOECr). 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.
Based on the composition provided by the sponsor, the TOXICITY TO ALGAE of the test item tested according to the WAF method was predicted as a loading rate of 5.0 mg/L for the 72-HOUR ErL50 and 2.1 mg/L for the NOECr.
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 (ErL50/NOELr) 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). They indicate limonene explains ca. 70% of the test item toxicity.
Description of key information
calculation method , KREATIS, 2022 :
72h-ErL50 = 5 mg/L (95% confidence interval: not determined)
72h-NOELr = 2.1 mg/L (95% confidence interval: not determined)
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 5 mg/L
- EC10 or NOEC for freshwater algae:
- 2.1 mg/L
Additional information
To assess the toxicity of the registered substance to aquatic algae one QSAR prediction (KREATIS, 2022) is available.
A calculation method was used to assess the TOXICITY TO ALGAE (72-HOUR ErL50 and NOELr) 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. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test" (OECD, 2006), referenced as Method C.3 of Commission Regulation No. 440/2008 (European Commission, 2008) adapted for testing of a mixture using the WAF method. The criterions predicted were the Median Effective Loading rate (ErL50), a statistically derived concentration which is expected to cause 50% inhibition of intrinsic rate of growth of the test system and the No Observed Effect Loading rate (NOELr), a tested loading rate which is expected to cause no effect on intrinsic rate of growth of the test system. Both criterions were determined for a period exposure of 72 hours.
The TOXICITY TO ALGAE (72-HOUR ErL50 and NOELr) 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 two QSAR models which have been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004, 2007). The QSAR models are based on validated data from a training set of 40 chemicals (for 72-hour ErC50) and 31 chemicals (for NOECr) derived from 72-hour test on algae, 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.
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).
Based on the composition provided by the sponsor, the TOXICITY TO ALGAE of the test item tested according to the WAF method was predicted as a loading rate of 5.0 mg/L for the 72-HOUR ErL50 and 2.1 mg/L for the NOECr.
95% confidence interval (α = 0.05): not determined
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