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Diss Factsheets
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EC number: 201-066-5 | CAS number: 77-89-4
- 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
- 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
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
- Justification for type of information:
- Estimation of short-term toxicity to fish using ECOSAR v1.11.
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- ECOSAR v1.11
ECOSAR is a general model for aquatic toxicity of organic substances. In ECOSAR, substances for which the ecotoxicity is estimated are entitled to chemical classes according to their chemical structure. For each class the ecotox values for acute and chronic endpoints are estimated. - GLP compliance:
- no
- Remarks:
- Not applicable to QSAR predictions
- Specific details on test material used for the study:
- - SMILES: O=C(OC(C(=O)OCC)(CC(=O)OCC)CC(=O)OCC)C
- log Kow: 1.339 (predicted) Only the log Kow-value is used for the prediction. - Analytical monitoring:
- not required
- Vehicle:
- not specified
- Details on test solutions:
- Details on test solutions are not applicable to QSAR predictions.
- Test organisms (species):
- other: fish (incl. e.g. Pimephales promelas)
- Test type:
- other: QSAR predicted data
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Conductivity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 103.473 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction ECOSAR chemical class: Esters
- Remarks:
- (using the LogKow of 1.339)
- Sublethal observations / clinical signs:
The ester class model for 96-hr fish acute toxicity as implemented within ECOSAR v1.11 is a valid model in accordance with the OECD principles. The model relies upon KOWWIN v1.68 for its LogKow estimates. KOWWIN v1.68 has been evaluated previously. The test substance ATEC lies within the structural domain of the KOWWIN model.
In addition, the test substance ATEC belongs to the class of esters and its MW value lies within the boundaries of the training set. Thus the test substance ATEC satisfies the applicability domain requirement to a sufficient extent. Analogues with experimental data extracted from the training set showed reasonable concordance between their estimated and experimental LC50 values.
Furthermore, screening data for the test substance ATEC on algae and Daphnia have been compared to the ECOSAR predictions for these species. The results demonstrated that there is a low order of toxicity towards aquatic species with no indiaction that fish is of specific sensitivity. Therefore, there is strong support that the prediction is reasonable. Adequate documentation has been provided by way of the QPRF, the associated QMRF ‘ECOSAR Neutral Organics Fish 96-h LC50’.
- Validity criteria fulfilled:
- yes
- Remarks:
- The results are adequate for the regulatory purpose, as the QSAR model is valid and target substance is within its applicability domain.
- Conclusions:
- For ATEC, the predicted LC50 value for acute fish toxicity is 103.472 mg/L (Ecosar V1.11, Class Esters).
- Executive summary:
The short-term toxicity to fish was estimated using the ECOSAR model v1.11 included in the EPISUITE software of US EPA. In ECOSAR, substances for which the ecotoxicity is estimated are entitled to chemical classes according to their chemical structure. For each class the ecotoxicity values for acute and chronic endpoints are estimated.
ATEC is classified under the class of the esters.
The estimated 96-hr LC50 value for fish is derived from the log Kow.
The prediction is adequate for the Classification and Labelling or risk assessment of the substance as indicated in REACH Regulation (EC) 1907/2006: Annex XI Section 1.3. The predictions do not indicate extreme or acute toxicities relevant for classification and labelling. The assessment indicates that the prediction is suitable for the regulatory conclusion in accordance with the tonnage driven information requirements.
Reference
Description of key information
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Dose descriptor:
- LC50
- Effect concentration:
- 103.472 mg/L
Additional information
Data derived by ECOSAR for ATEC: 103.472 mg/L for freshwater
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.