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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Toxicity to aquatic algae and cyanobacteria

Administrative data

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: software application
Title:
ECOSAR (ECOlogical Structure Activity Relationship) Class Programm fpr Microsoft Windows , U. S. Environmental Protection Agency ; ECOSAR™ Version 1.11 [2012]
Author:
U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460
Year:
2013
Bibliographic source:
http://www.epa.gov/oppt/newchems/tools/21ecosar.htm

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs Chapter R.6 , May 2008
Principles of method if other than guideline:
The estimation for short-term toxicity to green algae of the test material was performed with US-EPA software ECOSAR v1.11. ECOSAR is currently programmed to identify over 120 chemical classes. For those classes, there are a more than 600 QSARs based on publicly available experimental data and confidential studies collected under the EPA New Chemicals Program. For each class, a standard EPA New Chemicals Program aquatic toxicity profile will be created using available QSARs and/or alternate QSAR approaches and professional judgment.
GLP compliance:
no
Remarks:
(not applicable)

Test material

Constituent 1
Chemical structure
Reference substance name:
Isonicotinaldehyde
EC Number:
212-832-3
EC Name:
Isonicotinaldehyde
Cas Number:
872-85-5
Molecular formula:
C6H5NO
IUPAC Name:
pyridine-4-carbaldehyde
Test material form:
not specified
Details on test material:
- Name of test material (as cited in study report) : 4-Pyridinecarboxaldehyde , (Pyridin-4-aldehyd)
- SMILES : O=Cc(ccnc1)c1
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

Details on sampling:
Not applicable

Test solutions

Details on test solutions:
Not applicable

Test organisms

Test organisms (species):
other: Green algae, not further specified
Details on test organisms:
No details available.

Study design

Test type:
other: QSAR estimation
Water media type:
not specified
Total exposure duration:
96 h
Post exposure observation period:
Not applicable

Test conditions

Hardness:
No details available.
Test temperature:
No details available.
pH:
No details available.
Dissolved oxygen:
No details available.
Salinity:
No details available.
Nominal and measured concentrations:
No details available.
Details on test conditions:
No details available.
Reference substance (positive control):
not required
Remarks:
(not applicable)

Results and discussion

Effect concentrationsopen allclose all
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
133.972 mg/L
Remarks on result:
other: calculated value ECOSAR Class : Aldehydes (Mono)
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
392.663 mg/L
Remarks on result:
other: calculated value ECOSAR Class : Neutral Organic SAR (Baseline Toxicity)
Details on results:
No details available
Results with reference substance (positive control):
Not applicable
Reported statistics and error estimates:
Not applicable

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Remarks:
(Scientifically accepted calculation method.)
Conclusions:
The study report describes a scientifically accepted calculation method for the prediction of short-term toxicity to green algae using the US-EPA software ECOSAR v1.11.No GLP criteria are applicable for the usage of this tool and the QSAR estimation is easily repeatable.
Executive summary:

The prediction for short-term toxicity to green algae of the test substance was determined by the computer program ECOSAR v1.11 by US-EPA .ECOSAR is currently programmed to identify over 120 chemical classes. For those classes, there are a more than 600 QSARs based on publicly available experimental data and confidential studies collected under the EPA New Chemicals Program. For each class, a standard EPA New Chemicals Program aquatic toxicity profile will be created using available QSARs and/or alternate QSAR approaches and professional judgment.

The Prediction for ECOSAR Class Aldehydes (Mono) resulting in a value for green algae EC50(96h) of 133.972 mg/L .

The predicted value for green algae EC50(96h) of 392.663 mg/L use the Neutral Organics QSAR equations which represent baseline toxicity potential (minimum toxicity) assuming a simple non-polar narcosis model.