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EC number: 205-124-0 | CAS number: 133-91-5
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)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- R: QSAR Toolbox 3.1.0.21 prediction for LC50 read across evaluation for CAS 133-91-5
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 013
- Bibliographic source:
- QSAR Toolbox version 3.1
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 3,5-diiodosalicylic acid
- EC Number:
- 205-124-0
- EC Name:
- 3,5-diiodosalicylic acid
- Cas Number:
- 133-91-5
- Molecular formula:
- C7H4I2O3
- IUPAC Name:
- 2-hydroxy-3,5-diiodobenzoic acid
- Details on test material:
- - Name of test material: 3,5-diiodosalicylic acid
- Molecular formula: C7H4I2O3
- Molecular weight: 389.91
- Substance type: Organic
- Physical state: Solid
- Smiles: C(=O)(O)c1c(O)c(I)cc(I)c1
Constituent 1
Sampling and analysis
- Analytical monitoring:
- not specified
Test solutions
- Vehicle:
- not specified
Test organisms
- Test organisms (species):
- Oryzias latipes
Study design
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- yes
- Total exposure duration:
- 96 h
Test conditions
- Reference substance (positive control):
- not specified
Results and discussion
Effect concentrations
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 6.45 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
Any other information on results incl. tables
- Sublethal observations / clinical signs:
The prediction was based on dataset comprised from the following descriptors: LC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((("a" and ("b" and ( not "c") ) ) and "d" ) and ("e" and "f" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Phenols (Acute toxicity) by US-EPA New Chemical Categories
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Schiff base formation OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes OR SNAr OR SNAr >> Nucleophilic aromatic substitution on activated halogens OR SNAr >> Nucleophilic aromatic substitution on activated halogens >> Activated haloarenes by Protein binding by OASIS v1.1
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar
Domain logical expression index: "e"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.4
Domain logical expression index: "f"
Parametric boundary:The target chemical should have a value of log Kow which is <= 4.9
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Lethal concentration (LC50) value of 3,5-diiodosalicylic acid in fish (Oryzias latipes) in a 96 hr study on the basis of mortality effect was estimated to be 6.44 mg/L. The BCF value of 3,5-diiodosalicylic acid reported was not >= 500 as well as the substance was found to be rapidly degradable. Since the additional criteria mentioned in the CLP regulation related to BCF, biodegradability and Log Kow is not satisfied thus the substance has not been considered for aquatic toxicity classification. It is concluded that 3,5-diiodosalicylic acid does not exhibit short term toxicity to fish (Oryzias latipes).
- Executive summary:
The Lethal concentration (LC50) value of 3,5-diiodosalicylic acid in fish (Oryzias latipes) in a 96 hr study on the basis of mortality effect was estimated to be 6.44 mg/L. The BCF value of 3,5-diiodosalicylic acid reported was not >= 500 as well as the substance was found to be rapidly degradable. Since the additional criteria mentioned in the CLP regulation related to BCF, biodegradability and Log Kow is not satisfied thus the substance has not been considered for aquatic toxicity classification. It is concluded that 3,5-diiodosalicylic acid does not exhibit short term toxicity to fish (Oryzias latipes).
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