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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
Endpoint summary
Administrative data
Description of key information
Skin Sensitization:
The skin sensitization potential of Ethylbenzenesulphonic acid was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. Ethylbenzenesulphonic acid was predicted to be not sensitizing to the skin of female Dunkin Hartley guinea pigs.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation
- Remarks:
- in vivo
- 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 v3.3 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 OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Type of study:
- other: Estimated data
- Specific details on test material used for the study:
- - Name of test material: Ethylbenzenesulphonic acid
- Molecular formula: C8H10O3S
- Molecular weight: 186.23 g/mol
- Smiles notation: c1(ccc(CC)cc1)S(O)(=O)=O
- InChl : 1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
- Substance type: Organic
- Physical state: Solid - Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- female
- Details on test animals and environmental conditions:
- no data available
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 13 guinea pigs
- Details on study design:
- no data available
- Challenge controls:
- no data available
- Positive control substance(s):
- not specified
- Vehicle:
- not specified
- Statistics:
- no data available
- Positive control results:
- no data available
- Other effects / acceptance of results:
- no data available
- Reading:
- 1st reading
- Group:
- test chemical
- Dose level:
- no data available
- Clinical observations:
- no dermal reactions observed
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: Negative
- Conclusions:
- Ethylbenzenesulphonic acid was predicted to be not sensitizing to the skin of female Dunkin Hartley guinea pigs.
- Executive summary:
The skin sensitization potential of Ethylbenzenesulphonic acid was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. Ethylbenzenesulphonic acid was predicted to be not sensitizing to the skin of female Dunkin Hartley guinea pigs.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 10 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 (
not "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 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 Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, non cyclic structure by
Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Michael Addition OR Michael
Addition >> Michael addition on conjugated systems with electron
withdrawing group OR Michael Addition >> Michael addition on conjugated
systems with electron withdrawing group >> alpha,beta-Carbonyl compounds
with polarized double bonds OR Michael Addition >> Polarised Alkenes OR
Michael Addition >> Polarised Alkenes >> Polarised Alkene - alkenyl
pyridines, pyrazines, pyrimidines or triazines OR SN2 OR SN2 >>
Interchange reaction with sulphur containing compounds OR SN2 >>
Interchange reaction with sulphur containing compounds >> Thiols and
disulfide compounds by Protein binding by OASIS v1.3
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "o"
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: "p"
Referential
boundary: The
target chemical should be classified as Group 15 - Phosphorus P by
Chemical elements
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Aryl AND
Sulfonic acid by Organic Functional groups ONLY
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Aryl AND
Sulfonic acid by Organic Functional groups ONLY
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.4
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.43
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin Sensitization:
In different studies, Ethylbenzenesulphonic acid has been investigated for potential for dermal sensitization to a greater or lesser extent. The studies are based on in vivo experiments along with predicted data for target chemical and its structurally and functionally similar read across substances, Sodium 4-methylbenzenesulfonate [CAS No: 12068 -03-0] and Sodium cumenesulphonate[CAS: 28348-53-0]. The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
The skin sensitization potential of Ethylbenzenesulphonic acid was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. Ethylbenzenesulphonic acid was predicted to be not sensitizing to the skin of female Dunkin Hartley guinea pigs.
This result is supported by the Buehler test conducted for the structurally and functionally similar read across substance, Sodium 4-methylbenzenesulfonate [CAS No: 12068-03 -0] summarized in International Journal of Toxicology; Vol 30, Issue 6_suppl, pp. 270S - 283S; 2011. The study was performed according to OECD Guideline 406 Guidelines. 20 Dunkin Hartley guinea pigs were used for the study. In induction, the animals were induced dermally at concentration of 42.8 %. After induction, animals were challenged dermally with the same concentration under occlusive conditions (duration of exposure not mentioned). The guinea pigs were observed for signs of dermal irritation and sensitization (observation duration not mentioned).
No known skin reactions were observed at induction as well as at challenge exposure. Thus the chemical sodium 4-methylbenzenesulfonate (CAS No: 12068-03-0) was considered to be not sensitizing to the skin of Dunkin Hartley guinea pigs.
These results are supported by the study summarized in International Journal of Toxicology; Vol 30, Issue 6_suppl, pp. 270S - 283S; 2011; for the structurally and functionally similar read across substance, Sodium cumenesulphonate [CAS: 28348-53-0]. 0.5% aqueous solution of sodium cumenesulphonate in 0.1% aqueous granular detergent was exposed to human skin and observed for dermal reactions (duration not mentioned). No evidence of dermal sensitization was observed when 0.5% aqueous solution of sodium cumenesulphonate in 0.1% aqueous granular detergent was exposed to human skin. Hence, sodium cumenesulphonate can be considered to be not sensitizing to skin.
Based on the available data for the target as well as it read across substances;and applying the weight of evidence approach, it can be concluded that Ethylbenzenesulphonic acid was not sensitizing to skin.Comparing the above annotations with the criteria of CLP regulation,Ethylbenzenesulphonic acid can be classified under the category “Not Classified”.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Available data for Ethylbenzenesulphonic acid indicates that it is not likely to cause any dermal sensitization to skin.
Ethylbenzenesulphonic acid can be considered to be not sensitizer to skin and can be classified under the category “Not Classified” as per CLP regulation.
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