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Diss Factsheets
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EC number: 205-459-2 | CAS number: 141-12-8
- 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:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2016-10-13 to 2016-10-14
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 201 (Freshwater Alga and Cyanobacteria, Growth Inhibition Test)
- Deviations:
- yes
- Remarks:
- Calculation method
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method C.3 (Algal Inhibition test)
- Deviations:
- yes
- Remarks:
- Calculation method
- Principles of method if other than guideline:
- The growth inhibition of algae was determined using validated QSAR model for the Mode of Action in question (esters). The QSAR model is based on validated data for a training set of 44 chemicals derived from 72-hour ErC50 test on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period.
- GLP compliance:
- no
- Analytical monitoring:
- no
- Details on sampling:
- Not applicable
- Vehicle:
- no
- Details on test solutions:
- Not applicable
- Test organisms (species):
- other: Results from the following species were used in the regression: Pseudokirchneriella subcapitata, Desmodesmus subspicatus, Scenedesmus quadricauda
- Details on test organisms:
- Following the principles of Phase Equilibrium Thermodynamics, for narcotic substances, no difference in relationship between solubility and ecotoxicity 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 bodysize rather than to a specific toxic mechanism causing species differences. In this case, for esters, no differences were observed in activity based toxicity for the 3 species used.
- Test type:
- other: QSAR
- Water media type:
- not specified
- Limit test:
- no
- Total exposure duration:
- 72 h
- Remarks on exposure duration:
- 72h-ErC50
- Post exposure observation period:
- Not applicable
- Hardness:
- No data
- Test temperature:
- The temperatures varied from approximately 20 to 25 °C depending on the species used to construct the algorithm. This small difference is not expected to contribute to the variability of the ErC50 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:
- No data
- Salinity:
- No data
- Conductivity:
- No data
- Nominal and measured concentrations:
- No data
- Details on test conditions:
- Results from a test duration of 72 hours only were used for this algorithm. Following 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:
- other: ErC50
- Effect conc.:
- 4.9 mg/L
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other:
- Remarks:
- 95% CL: 4.2 - 5.6 mg/L
- Details on results:
- The water solubility value given as input to the Ecotox modules of the iSafeRat® HAQSAR models falls within the descriptor domain of the model between log water solubility (in log (mol/L)) of -5.57 to 0.93. Moreover the test substance is attributed to the class of esters.
- Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- Not applicable
- Validity criteria fulfilled:
- yes
- Conclusions:
- Based on a QSAR model used to calculate the inhibition of growth to algae of test item NERYL ACETATE, the estimated 72 h-ErC50 is 4.9 mg/L.
- Executive summary:
A QSAR model was used to calculate the inhibition of growth to algae of test item NERYL ACETATE. This QSAR model has been validated to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004) and predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following Guideline for Testing of Chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test" (1), referenced as Method C.3 of Commission Regulation No. 440/2008 (2). The criterion predicted was the ErC50 (Median Effective Concentration for specific growth rate), a statistically derived concentration which is expected to cause 50% inhibition of intrinsic rate of growth of the test system within a period of 72 hours.
The growth inhibition of algae was determined using validated QSAR model for the Mode of Action in question (esters). The QSAR model is based on validated data for a training set of 44 chemicals derived from 72-hour ErC50 test on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period.
The result below is the toxicity values anticipated further to a 72-hour study on algae based on measured concentrations: the predicted 72-hour ErC50 is 4.9 mg/L.
Reference
None
Description of key information
Based on a QSAR model used to calculate the inhibition of growth to algae of test item NERYL ACETATE, the estimated 72 h-ErC50 for is 4.9 mg/L.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 4.9 mg/L
Additional information
A QSAR model was used to calculate the inhibition of growth to algae of test item NERYL ACETATE. This QSAR model has been validated to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004) and predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following Guideline for Testing of Chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test" (1), referenced as Method C.3 of Commission Regulation No. 440/2008 (2). The criterion predicted was the ErC50 (Median Effective Concentration for specific growth rate), a statistically derived concentration which is expected to cause 50% inhibition of intrinsic rate of growth of the test system within a period of 72 hours.
The growth inhibition of algae was determined using validated QSAR model for the Mode of Action in question (esters). The QSAR model is based on validated data for a training set of 44 chemicals derived from 72-hour ErC50 test on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period.
The result below is the toxicity values anticipated further to a 72-hour study on algae based on measured concentrations: the predicted 72-hour ErC50 is 4.9 mg/L.
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