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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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Remarks:
- QSAR model predicts the 72h EC50 to pseudokirchneriella subcapitata
- 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)
Two individual models incorporated into Danish QSAR Database were used:
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 two 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:
- Battery of predicted results from two QSAR models (SciQSAR and Leadscope) incorporated into Danish QSAR Database. Please refer to the attached QMRF reports to get further information about the model development and validation strategy.
- GLP compliance:
- no
- Test organisms (species):
- Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum)
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 5.875 mg/L
- Remarks on result:
- other: Battery result of two QSAR predictions
- Details on results:
- 72 hour EC50 to Pseudokirchneriella subcapitata for the query substance:
Leadscope:8.434764 mg/L (inside applicability domain)
SciQSAR:3.314996 mg/L (inside applicability domain)
Battery result using Danish QSAR Database: 5.87488 mg/L (inside applicability domain) - Reported statistics and error estimates:
- Substance falls within the applicability domain of both the QSAR models used.
- Conclusions:
- The query substance was provided as input to the Danish QSAR Database. Based on the predictions generated using two individual models (Leadscope and SciQSAR) incorporated into Danish QSAR Database, the battery prediction for 72 hour EC50 to pseudokirchneriella subcapitata provided by Danish QSAR Database was 5.87488 mg/L.
- Executive summary:
Based on QSAR predictions derived using two QSAR models (Leadscope and SciQSAR) incorporated into Danish QSAR Database, the 72 hour EC50 to Pseudokirchneriella subcapitata for the query substance was predicted as 5.87488 mg/L. The query substance falls within the applicability domain of both the individual models and therefore the battery prediction was considered as reliable.
Reference
Please refer to the attached prediction report to access the results derived using Danish QSAR Database.
Description of key information
72-h EC50 of 4,4'-Methylenebis(2,6-dimethylaniline) is of 5.875 mg/L.
Based on QSAR results, 4,4'-Methylenebis(2,6-dimethylaniline) would not be classified as acute 1 to aquatic organisms in accordance with the classification of the CLP.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 5.875 mg/L
Additional information
Based on QSAR predictions derived using two QSAR models (Leadscope and SciQSAR) incorporated into Danish QSAR Database, the 72 hour EC50 to Pseudokirchneriella subcapitata for the query substance was predicted as 5.87488 mg/L. The query substance falls within the applicability domain of both the individual models and therefore the battery 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.
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