Buta-1,2-diene

Short-term toxicity to fish

Administrative data

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:

other: QSAR calculation, reliable with restrictions

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

other: computor 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

Test material information

Constituent 1

Reference substance name:

Buta-1,2-diene

EC Number:

209-674-2

EC Name:

Buta-1,2-diene

Cas Number:

590-19-2

Molecular formula:

C4H6

IUPAC Name:

buta-1,2-diene

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:

freshwater

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

Results and discussion

Effect concentrations

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

42.544 mg/L

Nominal / measured:

estimated

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

Remarks:

QSAR

Conclusions:

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.