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Ecotoxicological information

Toxicity to aquatic algae and cyanobacteria

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Reference
Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Data is from OECD QSAR toolbox version 3.3 and the QMRF report has been attached.
Qualifier:
according to guideline
Guideline:
other: Estimated data
Version / remarks:
No data
Deviations:
not specified
Principles of method if other than guideline:
Prediction was done using the OECD QSAR toolbox version 3.3.
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: 4-(Diethylamino)azobenzene
- Molecular formula: C16H19N3
- Molecular weight: 253.347 g/mol
- Smiles notation: c1(N(CC)CC)ccc(\N=N\c2ccccc2)cc1
- InChl: 1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/b18-17+
- Substance type: Organic
- Physical state: Solid
Analytical monitoring:
not specified
Details on sampling:
No data available
Vehicle:
not specified
Details on test solutions:
No data available
Test organisms (species):
Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
Details on test organisms:
No data available
Test type:
static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
72 h
Remarks on exposure duration:
No data available
Post exposure observation period:
No data available
Hardness:
No data available
Test temperature:
24±2°C
pH:
7.8-8.8
Dissolved oxygen:
No data available
Salinity:
No data available
Conductivity:
No data available
Nominal and measured concentrations:
Nominal
Details on test conditions:
No data available
Key result
Duration:
72 h
Dose descriptor:
EC50
Effect conc.:
11.093 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: toxic
Details on results:
No data available
Results with reference substance (positive control):
No data available
Reported statistics and error estimates:
No data available

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(((("a" or "b" or "c" or "d" )  and ("e" and ( not "f") )  )  and ("g" and ( not "h") )  )  and ("i" and "j" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aromatic amine OR Aryl OR Azo by Organic Functional groups ONLY

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aromatic amine OR Aryl OR Azo OR Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aliphatic Nitrogen, one aromatic attach [-N] OR Amino, aliphatic attach [-N<] OR Aromatic Carbon [C] OR Azo [-N=N-] OR Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Amine OR Aromatic compound OR Azo compound OR Tertiary amine OR Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group by Estrogen Receptor Binding

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Non binder, MW>500 OR Non binder, non cyclic structure by Estrogen Receptor Binding

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N by Chemical elements

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Group 16 - Oxygen O OR Group 16 - Sulfur S by Chemical elements

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= 3.18

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= 7.38

Validity criteria fulfilled:
not specified
Conclusions:
The EC50 value was estimated to be 11.092mg/l when 4-(Diethylamino)azobenzene exposed to Desmodesmus subspicatus for 48hrs.
Executive summary:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)was predicted for 4-(Diethylamino)azobenzene (2481 -94 -9). The EC50 value was estimated to be 11.092mg/l when  4-(Diethylamino)azobenzene exposed to Desmodesmus subspicatus for 48hrs.

Description of key information

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)was predicted for 4-(Diethylamino)azobenzene (2481 -94 -9). The EC50 value was estimated to be 11.092mg/l when  4-(Diethylamino)azobenzene exposed to Desmodesmus subspicatus for 48hrs.

Key value for chemical safety assessment

EC50 for freshwater algae:
11.092 mg/L

Additional information

Based on the various experimental data and prediction data for the target chemical and read across chemicals have been reviewed to determine the toxic nature of target chemical 4-(Diethylamino)azobenzene (2481 -94 -9). The studies are as mention below:

In the first weight of evidence study for 4-(Diethylamino)azobenzene (2481 -94 -9), Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)was predicted for 4-(Diethylamino)azobenzene (2481 -94 -9). The EC50 value was estimated to be 11.092mg/l when  4-(Diethylamino)azobenzene exposed to Desmodesmus subspicatus for 48hrs.

Similarly in the second weight of evidence study for the RA chemical (119 -64 -2) tetralin, from OECD SIDS report and IUCLID dataset 2000.Toxicity of tetralin on the growth of freshwater algae Scenedesmus subspicatus for 72hrs was syudied. Test was performed in Erlenmeyer flasks in static system. 1 g test substance/l was stirred in deionized water for 18 hours and filtered. The resulting concentration was 63 mg/l. The maximum concentration tested was 17 mg/l. No vehicle or solvent was used. Toxicity was checked in the interval of 24 hrs, at Six different concentration 1.20; 2.0; 3.6; 6.0; 10.0; 17.0 mg/l (nominal) and 0 mg/l for control.Based on the growth rate of Scenedesmus subspicatus (Algae) due to the 1,2,3,4-Tetrahydronaphthalene the EC10, EC50, EC90 was 5.3 mg/l, 11 mg/l and 25 mg/l. But on the basis of of biomass the EC10, EC50, EC90 was 3.8 mg/l, 7mg/l, 13mg/l. and the NOEC was 3.6mg/l. Based on the EC50 (11 mg/l) growth rate of Scenedesmus subspicatus (Algae) due to the 1, 2, 3, 4-Tetrahydronaphthalene, chemical was toxic and can be consider in chronic category 3 as per the CLP classification criteria.

Based on the various experimental data and prediction data for the target chemical and read across chemicals 1, 2, 3, 4-Tetrahydronaphthalene, chemical was toxic

and can be consider in chronic category 3 as per the CLP classification criteria.

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