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Ecotoxicological information

Long-term toxicity to aquatic invertebrates

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Administrative data

Endpoint:
long-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:
other: QSAR calculation, reliable with restrictions
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: computer model
Title:
ECOWIN v1 ECOSAR Classes for Microsoft Windows
Author:
Nabholz V and Mayo-Bean K
Year:
2009
Bibliographic source:
USEPA OPPT Risk Assessment Division

Materials and methods

Principles of method if other than guideline:
The Ecosar class program has been developed primarily for the evaluation of neutral organic compounds and organic classes with excess toxicity. The QSARs in the Ecosar program are developed for chemical classes based on measured test data that have been submitted by industry or they are developed by other sources for chemicals with similar structures, e.g., phenols. Using the measured aquatic toxicity values and estimated Kow values, regression equations can be developed for a class of chemicals. Toxicity values for new chemicals may then be calculated by inserting the Kow into the regression equation and correcting the resultant value for the molecular weight of the compound.
GLP compliance:
no
Remarks:
not applicable

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
not applicable
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
not applicable

Sampling and analysis

Analytical monitoring:
no
Details on sampling:
not applicable

Test solutions

Vehicle:
no
Details on test solutions:
not applicable

Test organisms

Test organisms (species):
Daphnia sp.
Details on test organisms:
not applicable

Study design

Test type:
not specified
Water media type:
freshwater
Limit test:
no
Post exposure observation period:
not applicable

Test conditions

Hardness:
not applicable
Test temperature:
not applicable
pH:
not applicable
Dissolved oxygen:
not applicable
Salinity:
not applicable
Nominal and measured concentrations:
not applicable
Details on test conditions:
not applicable
Reference substance (positive control):
not specified
Remarks:
Not reported

Results and discussion

Effect concentrations
Duration:
14 d
Dose descriptor:
other: ChV
Effect conc.:
1.4 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality
Details on results:
calculated using the neutral organics QSAR. Data entered: log Kow 2.4, melting point = -105.52, water solubility = 263mg/l
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
not applicable

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Remarks:
Calculated value
Conclusions:
The estimated ChV for Daphnia is 1.4 mg/l.
Executive summary:

The estimated ChV for Daphnia is 1.4 mg/l. Measured data are not available for butene for this endpoint. Due to the practical difficulties associated with the ecotoxicity testing of gases (i.e. maintaining exposure concentrations) the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to butene as it is based on a related chemical dataset that calculates the toxicity of neutral organic hydrocarbons whose mode of action is non-polar narcosis. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.