1,1-diethoxy-3,7-dimethylocta-2,6-diene

Short-term toxicity to fish

Link to relevant study record(s)

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

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 (fish)

Sublethal observations / clinical signs:

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

Fresh water fish

Fresh water fish

Effect concentration:

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.