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EC number: 260-690-6 | CAS number: 57352-34-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 33.
- 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):
- Daphnia magna
- Details on test organisms:
- - Common name: Water flea
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Test temperature:
- 24 °C
- pH:
- 7.5 - 10.1
- Nominal and measured concentrations:
- Estimated
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 161.265 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: Nontoxic
- Details on results:
- The EC50 was 161.264 mg/l.
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Based on the immobility of test organism the EC50 value was estimated to be 161.264 mg/l when Ethylbenzenesulphonic acid exposed to daphnia magna for 48 hrs.
- Executive summary:
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the seven closest read across substances, toxicity on daphnia magna was predicted for Ethylbenzenesulphonic acid (57352-34-8). Based on the immobility of test organism the EC50 value was estimated to be 161.264 mg/l when Ethylbenzenesulphonic acid exposed to daphnia magna for 48 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.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((("a"
or "b" or "c" or "d" or "e" or "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and "k" )
and "l" )
and "m" )
and "n" )
and ("o"
and (
not "p")
)
)
and "q" )
and "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 Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group by Estrogen Receptor Binding
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 Michael Addition by Protein
binding by OASIS v1.3
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Low (Class I) by Toxic hazard
classification by Cramer (original) ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Low (Class I) by Toxic hazard
classification by Cramer (with extensions) ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as No Data by Ultimate biodeg
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as > 100 days OR 0 to 1 day OR 1 to
10 days OR 10 to 100 days by Ultimate biodeg
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "r"
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: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.39
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.53
Description of key information
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the seven closest read across substances, toxicity on daphnia magna was predicted for Ethylbenzenesulphonic acid (57352-34-8). Based on the immobility of test organism the EC50 value was estimated to be 161.264 mg/l when Ethylbenzenesulphonic acid exposed to daphnia magna for 48 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 invertebrates
Fresh water invertebrates
- Effect concentration:
- 161.264 mg/L
Additional information
Based on the various experimental data and prediction data for the target chemical study have been reviewed to determine the toxic nature of Ethylbenzenesulphonic acid (57352-34-8) on the growth of invertebrates. 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 seven closest read across substances, toxicity on daphnia magna was predicted for Ethylbenzenesulphonic acid (57352-34-8). Based on the immobility of test organism the EC50 value was estimated to be 161.264 mg/l when Ethylbenzenesulphonic acid exposed to daphnia magna for 48 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 (121-57-3) which is structurally and functionally similar with the target chemical. Data obtain from Chemosphere, 1994. Toxicological profile for the sulfonic acids were study. Total 24hrs of exposure was provided to the daphnia magna. From the study the EC50 value for short term toxicity to aquatic invertebrates for Sulfanilic acid (121-57-3) in 24 hrs was determined to be 109.13 mg/l. Based on the result, Sulfanilic acid (121-57-3) was considered as not classified as per the CLP regulations.
Similarly in the third weight of evidence study for the read across chemical 4-methylbenzenesulfonic acid (Sodium p-toluenesulfonate) (657-84-1) from j-check 2017, toxicity study was carried out. Acute Immobilization Test of 4-methylbenzenesulfonic acid (Sodium p-toluenesulfonate) to Daphnia magna was studied for 48hrs. Test was performed according to the OECD Guideline 202 (Daphnia sp., Acute Immobilisation Test and Reproduction Test). Test conducted in the static system. Control and 1000 mg/l nominal concentration was added in the test vessel filled with 100 ml of test solution. Test conducted in the four replicates, 20 daphnia magna was added in per concentration (i.e. 5 per vessel). Results after 24-hour exposure at 50 % Effective concentration (EC50) for immobilization was ≥ 1000 mg/L, and after 48-hour exposure No observed effect concentration (NOEC) for immobilization was 1000 mg/L. The effect concentration at which 50% growth inhibited and immobility was observed in the daphnia magna after the exposure of chemical 4-methylbenzenesulfonic acid for 48hrs was ≥ 1000 mg/l. Thus based on the EC50, it can be concluded that the 4-methylbenzenesulfonic acid was nontoxic and can be consider to be not classified as per the CLP classification criteria.
Based on the predicted data for the target chemical and experimental studies for the read across chemical obtain from various sources (Chemosphere, j-check, 2017) toxicity on invertebrates 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 aquatic invertebrates as per CLP classification criteria.
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