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Diss Factsheets
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EC number: 223-786-9 | CAS number: 4073-98-7
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 17/04/2018
- 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:
- QMRFs are available. No QPRF was generated as model output. Substance falls within the applicability domain of the QSARs
- Justification for type of information:
- 1. SOFTWARE
Danish QSAR Database
2. MODEL (incl. version number)
Three individual models incorporated into Danish QSAR Database were used:
Case Ultra, SciQSAR and Leadscope
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Nc1c(C)cc(Cc2cc(C)c(N)c(C)c2)cc1C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached QMRFs for each of the three QSAR models.
5. APPLICABILITY DOMAIN
The substance falls within the applicability domain of the applied models. Please refer to the attached QMRFs.
6. ADEQUACY OF THE RESULT
As the substance falls within the applicability domain of the applied models, the final prediction was considered as reliable. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- A battery of QSAR results derived from three different QSAR models (SciQSAR, Leadscope and Case Ultra) integrated into the Danish QSAR Database was used. Please refer to the attached QMRF reports for further information about the model development and validation approaches used for each of these models.
- GLP compliance:
- no
- Preliminary study:
- Based on the QSAR predictions from three individual models, the query substance is considered as not readily biodegradable. All the models provided the same result and the substnace falls within their applicability domains.
- Key result
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- Please refer to the attached prediction report from Danish QSAR Database to access the prediction results for this endpoint. (Page 4)
- Interpretation of results:
- not readily biodegradable
- Remarks:
- QSAR result
- Conclusions:
- The query substance was predicted as not readily biodegradable using the battery prediction from three different QSAR models integrated into Danish QSAR Database.
- Executive summary:
The query substance was predicted as not readily biodegradable using the battery prediction from three different QSAR models integrated into Danish QSAR Database. The substance falls within the applicability domain of all these three models. Therefore the prediction was considered as reliable.
Reference
Leadscope = Not readily biodegradable (inside the applicability domain)
SciQSAR = Not readily biodegradable (inside the applicability domain)
Case Ultra = Not readily biodegradable (inside the applicability domain)
Battery result with Danish QSAR Database = Not readily biodegradable (inside the applicability domain)
Description of key information
The query substance was predicted as not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
- Type of water:
- freshwater
Additional information
The query substance was predicted as not readily biodegradable using the battery prediction from three different QSAR models integrated into Danish QSAR Database. The substance falls within the applicability domain of all these three models. Therefore the prediction was considered as reliable.
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.