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Ecotoxicological information

Short-term toxicity to fish

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Reference
Endpoint:
short-term toxicity to fish
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
according to
Guideline:
other: modelling database
Principles of method if other than guideline:
The aquatic toxicity - Median Lethal Concentration (LC50, mg/L) (v5.0.0.184).The aquatic toxicity module provides the concentration of the test substance in water predicted to be lethal to 50% of the exposed individuals (LC50, mg/L) of the species Fathead minnow (Pimephales promelas). Each LC50 calculation is supported by estimated Reliability Index (RI) which allows evaluation of the quality of predictions and the applicability domain of a corresponding model.
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material: 1,1-diethoxy-3,7-dimethylocta-2,6-diene
- Molecular formula : C14H26O2
- Molecular weight : 226.357
- Smiles notation : C(\C=C(\CC\C=C(/C)C)C)(OCC)OCC
- InChl : 1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+
- Substance type:Organic
- Physical state: Liquid
Analytical monitoring:
no
Vehicle:
not specified
Test organisms (species):
Pimephales promelas
Details on test organisms:
TEST ORGANISM
- Common name: Fathead minnow
Test type:
not specified
Water media type:
not specified
Total exposure duration:
96 h
Remarks on exposure duration:
No details
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
7.2 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality

Species

LC50 (mg/L)

Reliability (RI)

Fathead minnow (Pimephales promelas)

7.2

Moderate(0.54)

Validity criteria fulfilled:
not specified
Conclusions:
From ACD (Advanced Chemistry Development)/I-Lab predictive module (v5.0.0.184) the predicted Median Lethal Concentration (LC50, mg/L) of the test substance 1,1-diethoxy-3,7-dimethylocta-2,6-diene for fish species Pimephales promelas was reported to be 7.2 mg/l on the basis of mortality effects.
Executive summary:

From ACD (Advanced Chemistry Development)/I-Lab predictive module  (v5.0.0.184) the predicted Median Lethal Concentration (LC50, mg/L) of the test substance 1,1-diethoxy-3,7-dimethylocta-2,6-diene for fish species Pimephales promelas was reported to be 7.2 mg/l on the basis of mortality effects.

The Reliability Index (RI) for the prediction was reported to be0.54( As per model substance have moderate and high reliability ifRI > 0.5).Thus reported RII value indicate it has moderate reliability. And LC50 value indicate that the test substance 1,1-diethoxy-3,7-dimethylocta-2,6-diene considered as harmful to aquatic organisms and thus can be classified in aquatic chronic category 2 as per the CLP classification criteria.

Description of key information

From ACD (Advanced Chemistry Development)/I-Lab predictive module  (v5.0.0.184) the predicted Median Lethal Concentration (LC50, mg/L) of the test substance 1,1-diethoxy-3,7-dimethylocta-2,6-diene for fish species Pimephales promelas was reported to be 7.2 mg/l on the basis of mortality effects.

Key value for chemical safety assessment

LC50 for freshwater fish:
7.2 mg/L

Additional information

From ACD (Advanced Chemistry Development)/I-Lab predictive module  (v5.0.0.184) the predicted Median Lethal Concentration (LC50, mg/L) of the test substance 1,1-diethoxy-3,7-dimethylocta-2,6-diene for fish species Pimephales promelas was reported to be 7.2 mg/l on the basis of mortality effects.

The Reliability Index (RI) for the prediction was reported to be0.54( As per model substance have moderate and high reliability ifRI > 0.5).Thus reported RII value indicate it has moderate reliability. And LC50 value indicate that the test substance 1,1-diethoxy-3,7-dimethylocta-2,6-diene considered as harmful to aquatic organisms and thus can be classified in aquatic chronic category 2 as per the CLP classification criteria.