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Diss Factsheets
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EC number: 218-191-6 | CAS number: 2068-80-6
- 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
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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
- Justification for type of information:
- 1. SOFTWARE
The Estimation Programs Interface (EPI) SuiteTM v4.11 contains the ECOlogical Structure Activity Relationship (ECOSAR) software
2. MODEL (incl. version number)
ECOSAR v1.11, June 19, 2002
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C(O)C(N)CC(=O)O
CAS Num: 000056-84-8
Log Kow: -3.89
Water solubility: 8160 mg/L
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
For further information, please refer to the attached QSAR reporting format
5. APPLICABILITY DOMAIN
For further information, please refer to the attached QSAR reporting format
6. ADEQUACY OF THE RESULT
For further information, please refer to the attached QSAR reporting format
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Software tool(s) used including version: The Estimation Programs Interface (EPI) SuiteTM v4.1 contains the ECOlogical Structure Activity Relationship (ECOSAR) software
- Model(s) used: ECOSAR v1.11
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- no
Test material
- Reference substance name:
- Aspartic acid
- EC Number:
- 200-291-6
- EC Name:
- Aspartic acid
- Cas Number:
- 56-84-8
- Molecular formula:
- C4H7NO4
- IUPAC Name:
- aspartic acid
Constituent 1
Results and discussion
Effect concentrationsopen allclose all
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 736 000 mg/L
- Nominal / measured:
- estimated
- Basis for effect:
- growth rate
- Remarks on result:
- other: Results for the aliphatic amines class
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 1 100 000 mg/L
- Nominal / measured:
- estimated
- Basis for effect:
- growth rate
- Remarks on result:
- other: Results for the Neutral Organics class
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- In the present QSAR prediction conducted with the EPISuite TM; ECOSAR v1.11 software. The program detected two functional groups present in the molecule which are considered to exhibit a more specific mode of toxicity, namely, aliphatic amines and neutral organics. In consideration of the results of all two chemical classes, two EC50 values are estimated. All EC50 values predicted for L-aspartic acid are far above the 100 mg/L limit concentration. Since the substance falls within the applicability domain of the used model and the predicted values are more than 10-fold greater than the water solubility, no toxic effects are expected to occur up to saturation limits.
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