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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
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
- 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 - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Software tool(s) used including version: The Estimation Programs Interface (EPI) SuiteTM v4.11 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
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 3 840 000 mg/L
- Nominal / measured:
- estimated
- Basis for effect:
- mortality
- Remarks on result:
- other: Results for the aliphatic amines class
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 16 500 000 mg/L
- Nominal / measured:
- estimated
- Basis for effect:
- mortality
- Remarks on result:
- other: Results for the Neutral Organics class
- Validity criteria fulfilled:
- not applicable
- Remarks:
- QSAR prediction
- 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 LC50 values are estimated. All LC50 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.
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
Referenceopen allclose all
Description of key information
The toxicity to aquatic invertebrates was determined by QSAR estimation using ECOSAR. Since ECOSAR cannot use ionic structures for estimation the employed substance was aspartic acid. The additionally contained magnesium is not considered to have any impact on toxicity to aquatic invertebrates because Mg+ ions are ubiquitous occurring, physiological ions. Based on the stoichiometric composition Mg+ is not assumed to exhibit an adverse effect. Furthermore testing of any amino acid based substance may lead to artefacts due to its nature as energy source for many organisms. Bacterial contaminations pose a risk in the experimental setting to enhance bacterial growth by the added amino acid thereby lowering the oxygen content and promoting premature immobility/death. Thus, testing cannot be conducted without any additional reasonable effort.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 3 840 000 mg/L
Additional information
The toxicity to aquatic invertebrates was determined by QSAR estimation using ECOSAR. Since ECOSAR cannot use ionic structures for estimation the employed substance was aspartic acid. The additionally contained magnesium is not considered to have any impact on toxicity to aquatic invertebrates because Mg+ ions are ubiquitous occurring, physiological ions. Based on the stoichiometric composition Mg+ is not assumed to exhibit an adverse effect. Furthermore testing of any amino acid based substance may lead to artefacts due to its nature as energy source for many organisms. Bacterial contaminations pose a risk in the experimental setting to enhance bacterial growth by the added amino acid thereby lowering the oxygen content and promoting premature immobility/death. Thus, testing cannot be conducted without any additional reasonable effort.
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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