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Diss Factsheets

Ecotoxicological information

Short-term toxicity to fish

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Link to relevant study record(s)

Reference
Endpoint:
short-term toxicity to fish
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 andd the QMRF report has been attached
Qualifier:
according to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
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: Ethylbenzenesulphonic acid
- Molecular Weight: 186.23 g/mole
- Molecular Formula: C8H10O3S
- InChI:1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
- SMILES:CCc1ccccc1S(O)(=O)=O
Analytical monitoring:
not specified
Vehicle:
not specified
Test organisms (species):
Danio rerio (previous name: Brachydanio rerio)
Test type:
static
Water media type:
freshwater
Total exposure duration:
96 h
Hardness:
0.79 mmol/l
Test temperature:
24.5 – 26.8°C
pH:
7.8 - 8.1
Dissolved oxygen:
8.3 - 8.5 mg/l
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
110.225 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: Other details not known
Details on results:
The LC50 was 110.224 mg/l.
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" or "b" or "c" or "d" or "e" or "f" )  and "g" )  and "h" )  and ("i" and ( not "j") )  )  and "k" )  and "l" )  and "m" )  and "n" )  and "o" )  and "p" )  and ("q" and ( not "r") )  )  and ("s" and "t" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Linear alkylbenzene sulfonates by OECD HPV Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Anionic Surfactants by US-EPA New Chemical Categories

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aromatic compound OR Sulfonic acid OR Sulfonic acid derivative by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aromatic Carbon [C] OR Hydroxy, sulfur attach [-OH] OR Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Suflur {v+4} or {v+6} OR Sulfinic acid [-S(=O)OH] OR Sulfonate, aromatic attach [-SO2-O] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Alkyl arenes OR Overlapping groups OR Sulfonic acid by Organic Functional groups (nested) ONLY

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Alkyl arenes OR Aryl OR Sulfonic acid by Organic Functional groups ONLY

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OASIS v.1.3 ONLY

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD ONLY

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.3

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Ester aminolysis OR Acylation >> Ester aminolysis >> Amides by Protein binding by OASIS v1.3

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as No superfragment by Superfragments ONLY

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS ONLY

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Not Related to an Existing ECOSAR Class by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Not Related to an Existing ECOSAR Class by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "o"

Referential boundary: The target chemical should be classified as Not Related to an Existing ECOSAR Class by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "p"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis ONLY

Domain logical expression index: "q"

Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 16 - Oxygen O AND Group 16 - Sulfur S by Chemical elements

Domain logical expression index: "r"

Referential boundary: The target chemical should be classified as Group 5 - Trans.Metals V,Nb,Ta by Chemical elements

Domain logical expression index: "s"

Parametric boundary:The target chemical should have a value of log Kow which is >= -4.34

Domain logical expression index: "t"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.88

Validity criteria fulfilled:
not specified
Conclusions:
Based on the mortality of test organism the LC50 value was estimated to be 110.224 mg/l when Ethylbenzenesulphonic acid exposed to Danio rerio for 96 hrs.   
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 five closest read across substances, toxicity on Danio rerio (previous name: Brachydanio rerio) was predicted for Ethylbenzenesulphonic acid ( 2-ethylbenzenesulfonic acid) (57352-34-8). Based on the mortality of test organism the LC50 value was estimated to be 110.224 mg/l when Ethylbenzenesulphonic acid exposed to Danio rerio for 96 hrs.   

Based on this value it can be concluded that the substance Ethylbenzenesulphonic acidis considered to be not toxic to aquatic environment as per the criteria mentioned in CLP regulation.   

Description of key information

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Danio rerio (previous name: Brachydanio rerio) was predicted for Ethylbenzenesulphonic acid ( 2-ethylbenzenesulfonic acid) (57352-34-8). Based on the mortality of test organism the LC50 value was estimated to be 110.224 mg/l when Ethylbenzenesulphonic acid exposed to Danio rerio for 96 hrs. Based on this value it can be concluded that the substance Ethylbenzenesulphonic acidis considered to be not toxic to aquatic environment as per the criteria mentioned in CLP regulation.   

Key value for chemical safety assessment

Fresh water fish

Fresh water fish
Effect concentration:
110.224 mg/L

Additional information

Based on the various prediction data for the target chemical and experimental data for read across chemical which was structurally and functionally similar with the target chemical, study have been reviewed to determine the toxic nature of Ethylbenzenesulphonic acid (57352-34-8) on the growth of fish. The studies are as mentioned below:

In the first predicted study for the target chemical Ethylbenzenesulphonic acid (57352-34-8) from QSAR toolbox 2017, study was carried out. Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Danio rerio (previous name: Brachydanio rerio) was predicted for Ethylbenzenesulphonic acid ( 2-ethylbenzenesulfonic acid) (57352-34-8). Based on the mortality of test organism the LC50 value was estimated to be 110.224 mg/l when Ethylbenzenesulphonic acid exposed to Danio rerio for 96 hrs. Based on this value it can be concluded that the substance Ethylbenzenesulphonic acid is considered to be not toxic to aquatic environment as per the criteria mentioned in CLP regulation.   

 

Second weight of evidence study conducted for the read across RA chemical (98-33-9) from Sewage Ind. Wastes, 1957, which is structurally and functionally similar with the target chemical. In acute toxicity to fish test been performed to evaluate the toxicological effects of chemical 3 - methylsulphanilic acidin fish. The chemical was exposed to Gambusia affinis fish with dose concentration of 180, 320, 560, 1000 mg/L with exposure duration of 24, 48 and 96 hrs. Adult mosquitofish fishes were collected from Stillwater creek from payne country. Test performed in the static system under the proper temperature and pH. 10 fishes in 1 aquarium used for the test. After the incubation lethal effect was measured at which 50% growth inhibited. In control at 180 mg/l and less, the fishes were apparently normal. At 320 ppm one was dead in 48-hrs, 2 in 72-h and fourth in 96-h. At 560 and 1000 ppm all were dead in 6 hrs. Only. Based on the mortality of Gambusia affinis fish due to the contact with chemical 3 - methylsulphanilic acid, the LC50 was determine to be 425 mg/l, 410, 375 mg/l for 24, 48, 96hrs. Based on the LC50, it can be concluded that the chemical 3 - methylsulphanilic acid was nontoxic and be consider to be not classified as per the CLP classification criteria.

 

Similarly in the third weight of evidence study for the read across chemical (121-57-3) Chemophere, 1994. Toxic effects of test substance 4-amino-benzenesulfonic acid was determined on various fish species like Leuciscus idus, Brachydanio rerio, Salmo gaidneri, Pimephales promelas, Lepomis macrochirus, Poecilia reticulate for 48 and 96 hrs in static condition and in fresh water. Based on the experimental data the lethal concentration i.e LC0 and LC50 of test substance 4-amino-benzenesulfonic acid on fish Leuciscus idus, Brachydanio rerio, Salmo gaidneri, Pimephales promelas, Lepomis macrochirus, Poecilia reticulate was determine to be LC50 was 100.4 mg/l for 96 hrs and LC0 was 1000 mg/l for 48 hrs. Thus based on the above experimental result the test substance 4-amino-benzenesulfonic acid (Cas no. 121-57-3) was nontoxic to fish and thus not consider for the further classification as per the CLP criteria. 

Similarly in the fourth weight of evidence study for the read across chemical (88-44-8) Envichem 2017, in experimental study the toxic effects of test substance 2-amino-5-methylbenzene - sulfonic acid was examined on fish Oryzias latipes for 48 hrs. During experiment the lethal concentration (LC50) was determine to be 480 mg/l on the basis of mortality effects. Thus based on the lethal concentration of substance 2-amino-5-methylbenzenesulfonic acid it can be consider that it is nontoxic to fish and thus not consider for aquatic classification. 

Based on the predicted data for the target chemical and experimental studies for the read across chemical obtain from various sources (Sewage Ind. Wastes, 1957, Chemosphere, Envichem, 2017) toxicity on fish was studied due to the exposure of Ethylbenzenesulphonic acid (57352-34-8), it was concluded that the chemical Ethylbenzenesulphonic acid was consider as nontoxic and can be consider to be not classified as toxic to fish as per CLP classification criteria.