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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
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- 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 203 (Fish, Acute Toxicity Test)
- Deviations:
- yes
- Remarks:
- Calculation method
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method C.1 (Acute Toxicity for Fish)
- Deviations:
- yes
- Remarks:
- Calculation method
- Principles of method if other than guideline:
- The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question (esters). The QSAR is based on validated data for a training set of 34 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.
- 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: Danio rerio, Oncorhynchus mykiss, Lepomis macrochirus, Pimephales promelas, Oryzias latipes, Leuciscus idus
- Details on test organisms:
- Following the principles of Phase Equilibrium Thermodynamics, for narcotic substances, no difference in relationship between solubility and ecotoxicity between fish freshwater species is expected. Any observed differences may be attributed to lifestyle related parameters (e.g. relative differences in storage lipid content between species) 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 species used.
- Test type:
- other: QSAR
- Water media type:
- not specified
- Limit test:
- no
- Total exposure duration:
- 96 h
- Post exposure observation period:
- Not applicable
- Hardness:
- No data
- Test temperature:
- The temperatures varied from approximately 14 to 25 °C depending on the fish species used to construct the algorithm. While it is recognized that this may
contribute to some extent to the variability of the LC50 values found in experimental data, KREATiS has not observed a clear trend suggesting that normalization to temperature would necessarily improve the algorithm (say for trout as opposed to warm water species) for monoconstituents. Nevertheless, this is a recognized area for further research by KREATiS. - pH:
- Test results were taken from studies with measured pHs between 6.0 - 8.5.
- Dissolved oxygen:
- The dissolved oxygen concentration was more than 60% of the air-saturation value throughout the duration of the test. In exceptional cases where studies with oxygen concentrations lower than 60% were used, all aspects of the study were thoroughly evaluated in order to satisfy the evaluator that the effects found were not due to reduced oxygen concentration (i.e. the study would correctly receive a Klimisch score of 2 under the REACH Regulation [REACH, 2006])
- Salinity:
- No data
- Conductivity:
- No data
- Details on test conditions:
- Only results from a test duration of 96 hours were included. A variety of test designs were accepted: Preferentially results from a semi-static with daily renewal of test solutions and the control or from a flow-through test were used. However, for stable, low volatility substances a static design was 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:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 6 mg/L
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other:
- Remarks:
- 95% CL: 5.1 - 7.1 mg/L
- Details on results:
- The predicated value is reliable since the test substance falls within the applicability domain of the model. The value of water solubility value of the test substance is within descriptor domain of the model between log water solubility (in log (mol/L)) of -4.79 to 1.69. Moreover the test substance is attributed to the class of ester compounds.
- Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- Not applicable
- Sublethal observations / clinical signs:
None
- Validity criteria fulfilled:
- yes
- Conclusions:
- Based on a QSAR model used to calculate the acute toxicity of test item NERYL ACETATE to fish, the predicted 96-hour LC50 is 6.0 mg test item/L.
- Executive summary:
A QSAR model was used to calculate the acute toxicity of test item NERYL ACETATE to fish. 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. 203, "Fish Acute Toxicity Test", referenced as Method C.1 of Commission Regulation No. 440/2008. The criterion predicted was the LC50 (Median Lethal Concentration), a statistically derived concentration which is expected to cause mortality in 50% of test animals within a period of 96 hours.
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question (esters). The QSAR is based on validated data for a training set of 34 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.
The result hereafter is the toxicity value anticipated further to a 96-hour LC50 study on fish based on measured concentrations: The predicted 96-hour LC50 is 6.0 mg/L.
Reference
Description of key information
Based on a QSAR model used to calculate the acute toxicity of test item NERYL ACETATE to fish, the predicted 96-hour LC50 is 6.0 mg test item/L.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 6 mg/L
Additional information
A QSAR model was used to calculate the acute toxicity of test item neryl acetate to fish. 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. 203, "Fish Acute Toxicity Test", referenced as Method C.1 of Commission Regulation No. 440/2008. The criterion predicted was the LC50 (Median Lethal Concentration), a statistically derived concentration which is expected to cause mortality in 50% of test animals within a period of 96 hours.
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question (esters). The QSAR is based on validated data for a training set of 34 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.
The result hereafter is the toxicity value anticipated further to a 96-hour LC50 study on fish based on measured concentrations: The predicted 96-hour LC50 is 6.0 mg/L.
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.
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