Magnesium dihydrogen di-L-aspartate

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

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.

Reference 2

Endpoint:

short-term toxicity to aquatic invertebrates

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

other:

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.