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Diss Factsheets
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EC number: 217-057-4 | CAS number: 1732-08-7
- 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:
- (Q)SAR
- Remarks:
- iSafeRat® version 1.7
- Adequacy of study:
- key study
- Study period:
- 2017-10-23 to 2017-10-27
- Reliability:
- 1 (reliable without restriction)
- 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
- Justification for type of information:
- See QMRF and QPRF in "attached background material" section.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
- Deviations:
- yes
- Remarks:
- QSAR model
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method C.2 (Acute Toxicity for Daphnia)
- Deviations:
- yes
- Remarks:
- QSAR model
- Principles of method if other than guideline:
- The immobility of the daphnids was determined using a validated QSAR model for the Mode of Action (MOA) in question (poly-esters). The QSAR model is based on validated data for a training set of 8 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.
- GLP compliance:
- no
- Specific details on test material used for the study:
- None
- Analytical monitoring:
- no
- Remarks:
- Not applicable. See "any other information on material and methods incl. tables"
- Details on sampling:
- No data
- Vehicle:
- no
- Details on test solutions:
- Not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- Results from the following species were used in the regression: Daphnia magna, Daphnia pulex
Following the principles of Phase Equilibrium Thermodynamics, for narcotic substances, no difference in relationship between solubility and ecotoxicity 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. In this case, for poly-esters compounds, no differences were observed in activity based toxicity for the 2 species used. - Test type:
- other: QSAR model. See "details on test conditions"
- Water media type:
- not specified
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- Results from a test duration of 48 hours only were used for daphnid and ceriodaphnid species.
- Post exposure observation period:
- Not applicable
- Hardness:
- Not specified
- 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 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
- Salinity:
- Not specified
- Conductivity:
- Not specified
- Nominal and measured concentrations:
- Not applicable
- Details on test conditions:
- 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:
- QSAR model
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 73 mg/L
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: 95% CL [51 - 103 mg/L]
- Details on results:
- None
- Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- 95 % CL [51 - 103 mg/L] QSAR statistical parameters are given in the QMRF and QPRF
- Validity criteria fulfilled:
- yes
- Remarks:
- The substance falls into applicability domains of the model QSAR
- Conclusions:
- 48 h EC50 for dimethyl pimelate = 73 mg test item/L with 95 %-Confidence Limit of 51 - 103 mg test item/L.
- Executive summary:
A Quantitative Structure-Activity Relationship (QSAR) model was used to calculate the acute toxicity of the test item dimethyl pimelate to daphnid. 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 the Guideline for Testing of Chemicals No. 202, "Daphniasp., Acute Immobilisation Test", referenced as Method C.2 of Commission Regulation No. 440/2008. The criterion predicted was the EC50 (Median Effective Concentration), a statistically derived concentration which is expected to cause immobility in 50% of test animals within a period of 48 hours.
The immobility of the daphnids was determined using a validated QSAR model for the Mode of Action (MOA) in question (poly-esters). The regression based method used to achieve this has been fully validated following the OECD (2004) recommendations. The QSAR model is based on validated data for a training set of 8 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.
The result below is the acute toxicity value anticipated during a 48-hour EC50 study on daphnids based on measured concentrations.The 48-hour EC50 is calculated as follows:
Time (h)
EC50 (mg test item.L-1)
95% confidence limits (mg test item.L-1)
48
73
51 - 103
Reference
None
Description of key information
48 h EC50 for dimethyl pimelate = 73 mg test item/L with 95 %-Confidence Limit of 51 - 103 mg test item/L.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 73 mg/L
Additional information
For that endpoint, a Quantitative Structure-Activity Relationship (QSAR) model was used. The purpose of this QSAR model is to accurately predict the acute toxicity of the registered substance to daphnids as would be expected in a laboratory experiment following OECD Guideline 202, for specific, named modes of action, to provide a value that can effectively replace a 48-hour EC50 value from an experimental study. The regression based method used to achieve this has been fully validated following the OECD recommendations for QSAR modeling (OECD, 2004).
The criterion predicted was the EC50 (Median Effective Concentration), a statistically derived concentration which is expected to cause immobility in 50% of test animals within a period of 48 hours.
In this study, the immobility of the daphnids was determined using a validated QSAR model for the Mode of Action (MOA) in question (poly-esters). The QSAR model is based on validated data for a training set of 8 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.
The experimental studies used to construct the algorithm were verified to fully satisfy the requirements of the OECD 202 guideline. In addition, studies were used only where analytical measurements were made on the control and all relevant test concentrations whenever possible. Any exceptions (initial concentrations measured only or EC50 based on nominal values) were used only when sufficient justification for stability of the test item was determined.
To conclude, this QSAR model is considered valid and the substance falls within the applicability domain of the model. Therefore, this study is considered acceptable to replace an experimental study on the registered substance and can be used for that endpoint.
For further details, the QPRF and QMRF reports are attached to the relevant study record.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.