4-(aminomethyl)octane-1,8-diamine

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

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
ECOSAR
2. MODEL (incl. version number)
Algae 96h EC50, in silico v2.0
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C(CCCCN)(CCCN)CN
log pow-0.733
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see QMRF
5. APPLICABILITY DOMAIN
APPLICATIONS: This SAR may be used to estimate toxicity for the following esters. 5. Acetates 6. Benzoates 7. Dicarboxylic aliphatics 8. Phthalates derived from aliphatic alcohols and phenols. Maximum Kow: 6.4 Maximum MW: 1000
The applicability domain check is performed automatically by the software and if the constrains are not satisfied the prediction is not provided.

Qualifier:

no guideline required

Principles of method if other than guideline:

- Software tool(s) used including version:
ECOSAR V2.0
- Model(s) used:
see QMRF

GLP compliance:

no

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source (i.e. manufacturer or supplier) and lot/batch number of test material:
Manufacturer: Ascend Performance Materials Inc.
Lot no.: 1205635
- Purity, including information on contaminants, isomers, etc.:
100%



STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
Ambient
- Stability and homogeneity of the test material in the vehicle/solvent under test conditions (e.g. in the exposure medium) and during storage:
stable
- Stability in the medium, i.e. sensitivity of the test material to hydrolysis and/or photolysis:
stable
- Solubility and stability of the test material in the solvent/vehicle and the exposure medium:
highly soluble
- Reactivity of the test material with the incubation material used (e.g. plastic ware):
non-reactive

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing (e.g. warming, grinding):
none
- Preliminary purification step (if any):
none

Duration:

96 h

Dose descriptor:

EC50

Effect conc.:

25.7 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

growth rate

Validity criteria fulfilled:

not applicable

Conclusions:

The predicted Agae 96h EC50 is 25.7 mg/L. The predicted compound is into the Applicability Domain of the model.

Key value for chemical safety assessment

EC50 for freshwater algae:

25.7 mg/L