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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Short-term toxicity to fish

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Reference
Endpoint:
short-term toxicity to fish
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

2. MODEL (incl. version number)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL

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 or providing a link]
- Defined endpoint:
- Unambiguous algorithm:
- Defined domain of applicability:
- Appropriate measures of goodness-of-fit and robustness and predictivity:
- Mechanistic interpretation:

5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain:
- Structural and mechanistic domains:
- Similarity with analogues in the training set:
- Other considerations (as appropriate):

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:
The QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the short-term toxicity to fish.
GLP compliance:
no
Analytical monitoring:
not required
Test organisms (species):
other: fish
Water media type:
freshwater
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
13.297 mg/L
Basis for effect:
mortality (fish)
Validity criteria fulfilled:
not applicable
Conclusions:
Using a reliable QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the 96hr LC50 for fish to be 13.297 mg/L.
Executive summary:

A reliable QSAR model (Ecological Structure-Activity Relationship (ECOSAR) version 1.00) was used to predict the acute aquatic toxicity of 2 -butyl octanoic acid to fish. The 96 hour LC50’s were 13.297 mg/L.

Description of key information

A reliable QSAR model (Ecological Structure-Activity Relationship (ECOSAR) version 1.00) was used to predict the acute aquatic toxicity of 2 -butyl octanoic acid to fish. The 96 hour LC50’s were 13.297 mg/L.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish
Effect concentration:
13.297 mg/L

Additional information

A reliable QSAR model (Ecological Structure-Activity Relationship (ECOSAR) version 1.00) was used to predict the acute aquatic toxicity of 2 -butyl octanoic acid to fish. The 96 hour LC50’s were 13.297 mg/L.