Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

short-term toxicity to fish
Type of information:
Adequacy of study:
key study
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 Type:
other: computor model
ECOWIN v1 ECOSAR Classes for Microsoft Windows
Nabholz V and Mayo-Bean K
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:
Not applicable

Test material

Constituent 1
Chemical structure
Reference substance name:
EC Number:
EC Name:
Cas Number:
Molecular formula:
Details on test material:
No data available
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
No data available

Sampling and analysis

Analytical monitoring:
not required
Details on sampling:
Not applicable

Test solutions

Details on test solutions:
Not applicable

Test organisms

Test organisms (species):
other: Fish
Details on test organisms:
Not applicable

Study design

Test type:
other: Not applicable
Water media type:
Post exposure observation period:
Not applicable

Test conditions

Not applicable
Test temperature:
Not applicable
Not applicable
Dissolved oxygen:
Not applicable
Not applicable
Nominal and measured concentrations:
Not applicable
Details on test conditions:
Not applicable

Results and discussion

Effect concentrations
96 h
Dose descriptor:
Effect conc.:
42.544 mg/L
Nominal / measured:
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Details on results:
calculated using the neutral organic QSAR. Based on the log kow of buta-1,3-diene (1.99).
Results with reference substance (positive control):
No data available
Reported statistics and error estimates:
No data available

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
The estimated 96hr LC50 for fish is 42.544mg/l.
Executive summary:

Measured data are not available for buta-1,2-diene 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 buta-1,2,-diene 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.