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

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

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
ECOSAR (version 2.0)
2. MODEL (incl. version number)
ECOSAR Daphnid 48h EC50, in silico.
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
[[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF and/or QPRF or providing a link]
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: 5 Maximum MW: 1000
If the log Kow value is greater than 5, or if the compound is solid and the EC50 exceeds the water solubility by 10X, no effects at saturation are predicted.
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]

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

Test type:

static

Total exposure duration:

48 h

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

23.3 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Validity criteria fulfilled:

not applicable

Conclusions:

The predicted Daphnid 48h EC50 is 23.3 mg/L. The predicted compound is into the Applicability Domain of the model.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Dose descriptor:

EC50

Effect concentration:

23.3 mg/L