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Diss Factsheets
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EC number: 224-623-4 | CAS number: 4430-31-3
- 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
- Adequacy of study:
- key study
- Study period:
- 2016-2017
- 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
- Justification for type of information:
- The executive summary of the ECOSAR-prediction is presented below. The accompanying files are attached in the present record.
The acute Daphnia EC50 for the ester Bicyclononalactone is predicted to be 83 mg/L based on the ECOSAR SAR for esters using an estimated log Kow of 1.55, molecular weight of 154.21 and the equation: Log 48h-LC50 (mmol/L) = -0.6305 (log Kow) + 0.7049. The LC50 in ECOSAR is considered equivalent to the EC50 as defined in OECD TG 202. Bicyclononalactone is in the applicability domain of the ECOSAR prediction because: a) Bicyclononalactone is an ester presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this ester); b) its log Kow is 1.55 (=< 5); c) its MW is 154.21 (< 1000); and; d) the toxicity predicted is below its measured water solubility of 3462 mg/L. The measured and predicted log Kows of Bicyclononalactone are 1.4 and 1.55, respectively, not indicating additional uncertainty. The ECOSAR training set substances with similar log Kows and the IFF types of esters (QMR) show that the predictions are roughly in line and do not indicate additional uncertainty other than what can be expected from experimental information. The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Bicyclononalactone prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute Daphnia toxicity on esters (see attached report). The adequate and reliable documentation, presented in the report, further supports this prediction. - Qualifier:
- according to guideline
- Guideline:
- other: IR/CSR Guidance R.6 QSARs and grouping of chemicals, May 2008
- Version / remarks:
- In the QMR attached the model specifications are presented. In this QMR is referenced to the Methodology document for the ecological Structure-Activity Relationship model (ECOSAR) Class Programm MS Windows v1.1'. United States Environmental Protection Agency, Office of Pollution Prevention and Toxics, Washington DC (2011).
- Deviations:
- not applicable
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: O=C(OC(C(CCC1)C2)C1)C2
- Test organisms (species):
- Daphnia sp.
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 83 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Remarks:
- The ECOSAR-Ester equation is valid when using the OECD criteria. In addition, N=40 and R2 is 0.80
- Conclusions:
- ECOSAR v1.11 predicted that the 48h-EC50 of Bicyclononalactone to Daphnia is 83 mg/L.
- Executive summary:
ECOSAR v1.11 predicted that the 48h-EC50 of Bicyclononalactone to Daphnia is 83 mg/L.
Please refer to the section "Justification for type of information".
Reference
ECOSAR v1.11 predicted that the 48h-EC50 of Bicyclononalactone to Daphnia is 83 mg/L.
Description of key information
ECOSAR v1.11 predicted that the 48h-EC50 of Bicyclononalactone to Daphnia is 83 mg/L.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 83 mg/L
Additional information
Please refer to the section "Justification for type of information".
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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