Ethylbenzenesulphonic acid

Endpoint summary

Description of key information

Acute oral toxicity: 

Acute oral toxicity dose (LD50) for Ethylbenzenesulphonic acid (CAS no: 57352-34-8) was predicted based on OECD QSAR toolbox 3145 mg/kg bw; Danish (Q)SAR Database 4900 mg/kg bw and different studies available on structurally similar read across substances 2-Amino-5-methylbenzenesulfonic acid (88-44-8) and 4-aminobenzenesulphonic acid (CAS no: 121-57-3) 12300 mg/kg bw. All these studies concluded that the LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Ethylbenzenesulphonic acid can be classified as category V of acute oral toxicity.

Acute Inhalation toxicity: 

Acute Inhalation toxicity dose (LC50) of Ethylbenzenesulphonic acid (57352-34-8) was predicted based on OECD QSAR toolbox 652 mg/L air (652000 mg/m3), and different studies available for the structurally similar read across substances Sodium toluenesulphonate (12068-03-0) >557000 mg/m3 and Sodium cumenesulphonate (28348-53-0) >770000 mg/m3. All these studies concluded that the LC50 value is greater than 5 mg/L air. Thus, comparing this value with the criteria of CLP regulation, Ethylbenzenesulphonic acid can be classified as category V of acute inhalation toxicity.

Acute Dermal toxicity: 

Acute Dermal toxicity dose (LD50) for Ethylbenzenesulphonic acid (57352-34-8) was predicted based on OECD QSAR toolbox 2143 mg/kg bwand differentstudies available on structurally similar read across substances Ethylbenzene (100-41-4) 15400 mg/kg bw and Sodium cumenesulphonate (28348-53-0) >2000 mg/kg bw. All these studies concluded that the LD50 value is>2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Ethylbenzenesulphonic acid can be classified as category V of acute dermal toxicity.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: estimated

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.3

GLP compliance:

not specified

Test type:

other: not specified

Specific details on test material used for the study:

Name: Ethylbenzenesulphonic acid
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
Molecular Weight: 186.23 g/mole
Molecular Formula: C8H10O3S

Species:

rat

Strain:

Wistar

Sex:

male/female

Details on test animals or test system and environmental conditions:

not specified

Route of administration:

oral: gavage

Vehicle:

unchanged (no vehicle)

Details on oral exposure:

not specified

Doses:

3145 mg/kg

No. of animals per sex per dose:

not specified

Control animals:

not specified

Details on study design:

not specified

Statistics:

not specified

Preliminary study:

not specified

Sex:

male/female

Dose descriptor:

LD50

Effect level:

3 145 mg/kg bw

Based on:

test mat.

Remarks on result:

other: 50% mortality observed

Mortality:

not specified

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 6 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" )  )

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 OECD ONLY

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Low (Class I) by Toxic hazard classification by Cramer (original) ONLY

Domain logical expression index: "m"

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

Domain logical expression index: "n"

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

Domain logical expression index: "o"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.17

Domain logical expression index: "p"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.44

Interpretation of results:

Category 5 based on GHS criteria

Conclusions:

LD50 was estimated to be 3145 mg/kg bw, when Wistar male and female rats were treated with Ethylbenzenesulphonic acid (CAS no: 57352-34-8) via oral gavage route.

Executive summary:

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for Ethylbenzenesulphonic acid (CAS no: 57352-34-8). The LD50 was estimated to be 3145 mg/kg bw, when Wistar male and female rats were treated with Ethylbenzenesulphonic acid via oral gavage route.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

3 145 mg/kg bw

Quality of whole database:

Data is Klimisch 2 and from QSAR toolbox 3.3

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: estimated data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.3

GLP compliance:

not specified

Test type:

other: not specified

Limit test:

no

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

Species:

rat

Strain:

Wistar

Sex:

male/female

Details on test animals or test system and environmental conditions:

not specified

Route of administration:

inhalation: aerosol

Type of inhalation exposure:

not specified

Vehicle:

not specified

Remark on MMAD/GSD:

not specified

Details on inhalation exposure:

not specified

Analytical verification of test atmosphere concentrations:

not specified

Duration of exposure:

4 h

Remarks on duration:

not specified

Concentrations:

652 mg/L air

No. of animals per sex per dose:

not specified

Control animals:

not specified

Details on study design:

not specified

Statistics:

not specified

Preliminary study:

not specified

Sex:

male/female

Dose descriptor:

LC50

Effect level:

652 mg/L air

Based on:

test mat.

Exp. duration:

4 h

Remarks on result:

other: 50% mortality observed

Mortality:

not specified

Clinical signs:

other: not specified

Body weight:

not specified

Gross pathology:

not specified

Other findings:

not specified

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 "j" )  and "k" )  and "l" )  and "m" )  and "n" )  and ("o" and "p" )  )

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 Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar (Modified) ONLY

Domain logical expression index: "j"

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

Domain logical expression index: "k"

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

Domain logical expression index: "l"

Similarity boundary:Target: CCc1ccccc1S(O)(=O)=O
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "m"

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

Domain logical expression index: "n"

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

Domain logical expression index: "o"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.382

Domain logical expression index: "p"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.93

Interpretation of results:

Category 5 based on GHS criteria

Conclusions:

LC50 was estimated to be 652 mg/L air, when Wistar male and female rats were exposed with Ethylbenzenesulphonic acid (57352-34-8) for 4 h of exposure period by inhalation route.

Executive summary:

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute inhalation toxicity was estimated for Ethylbenzenesulphonic acid (57352-34-8). The LC50 was estimated to be 652 mg/L air, when Wistar male and female rats were exposed with Ethylbenzenesulphonic acid for 4 h of exposure period by inhalation route.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LC50

Value:

652 000 mg/m³ air

Quality of whole database:

Data is Klimisch 2 and QSAR toolbox 3.3.

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: estimated

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.3

GLP compliance:

not specified

Test type:

other: not specified

Limit test:

no

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

Species:

rabbit

Strain:

New Zealand White

Sex:

male

Details on test animals or test system and environmental conditions:

not specified

Type of coverage:

occlusive

Vehicle:

unchanged (no vehicle)

Details on dermal exposure:

not specified

Duration of exposure:

24 hours

Doses:

2143 mg/kg

No. of animals per sex per dose:

not specified

Control animals:

not specified

Details on study design:

not specified

Statistics:

not specified

Preliminary study:

not specified

Sex:

male

Dose descriptor:

LD50

Effect level:

2 143 mg/kg bw

Based on:

test mat.

Remarks on result:

other: 50% mortality observed

Mortality:

not specified

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

The prediction was based on dataset comprised from the following descriptors: LD50
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 ( not "l") )  )  and "m" )  and ("n" and ( not "o") )  )  and "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, 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 No alert found by Protein binding by OECD ONLY

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as No alert found by Protein binding alerts for Chromosomal aberration by OASIS v1.1

Domain logical expression index: "o"

Referential boundary: The target chemical should be classified as AN2 OR AN2 >> Nucleophilic addition to pyridonimine tautomer of aminopyridoindoles or aminopyridoimidazoles OR AN2 >> Nucleophilic addition to pyridonimine tautomer of aminopyridoindoles or aminopyridoimidazoles >> Heterocyclic Aromatic Amines OR Radical mechanism OR Radical mechanism >> ROS generation and direct attack of hydroxyl radical to the C8 position of nucleoside base OR Radical mechanism >> ROS generation and direct attack of hydroxyl radical to the C8 position of nucleoside base >> Heterocyclic Aromatic Amines OR SE reaction (CYP450-activated heterocyclic amines) OR SE reaction (CYP450-activated heterocyclic amines) >> Direct attack of arylnitrenium cation to the C8 position of nucleoside base OR SE reaction (CYP450-activated heterocyclic amines) >> Direct attack of arylnitrenium cation to the C8 position of nucleoside base >> Heterocyclic Aromatic Amines OR SR reaction (peroxidase-activated heterocyclic amines) OR SR reaction (peroxidase-activated heterocyclic amines) >> Direct attack of arylnitrenium radical to the C8 position of nucleoside base OR SR reaction (peroxidase-activated heterocyclic amines) >> Direct attack of arylnitrenium radical to the C8 position of nucleoside base >> Heterocyclic Aromatic Amines by Protein binding alerts for Chromosomal aberration by OASIS v1.1

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 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 Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon [C] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate, aromatic attach [-SO2-O] by Organic functional groups (US EPA) 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 <= 2.47

Interpretation of results:

Category 5 based on GHS criteria

Conclusions:

LD50 was estimated to be 2143 mg/kg bw, when New Zealand White male rabbit was treated with Ethylbenzenesulphonic acid (CAS no: 57352-34-8) for 24 hours by dermal application occlusively.

Executive summary:

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for Ethylbenzenesulphonic acid (CAS no: 57352-34-8). The LD50 was estimated to be 2143 mg/kg bw, when New Zealand White male rabbit was treated with Ethylbenzenesulphonic acid for 24 hours by dermal application occlusively.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

2 143 mg/kg bw

Quality of whole database:

Data is Klimisch 2 and from QSAR toolbox 3.3

Additional information

Acute oral toxicity:

In different studies, Ethylbenzenesulphonic acid (CAS no: 57352-34-8) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in-vivo experiments in rodents, i.e. most commonly in rats for Ethylbenzenesulphonic acid along with the study available on structurally similar read across substances 2-Amino-5-methylbenzenesulfonic acid (88-44-8) and 4-aminobenzenesulphonic acid (CAS no.: 121-57-3). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for Ethylbenzenesulphonic acid (CAS no: 57352-34-8). The LD50 was estimated to be 3145 mg/kg bw, when Wistar male and female rats were treated with Ethylbenzenesulphonic acid via oral gavage route.

In another study based on the QSAR prediction done using the Danish (Q)SAR Database, the acute oral toxicity was estimated for the Ethylbenzenesulphonic acid (57352-34-8). The LD50 was estimated to be 4900 mg mg/kg bw with Reliability Index 0.7 (0.5-0.75 = moderate prediction quality), when rats were treated with Ethylbenzenesulphonic acid orally.

This study is further supported by IFA GESTIS, GESTIS SUBSTANCE Database (2017) and U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance 2-Amino-5-methylbenzenesulfonic acid (88-44-8). In an acute oral toxicity study, rat were treated at the concentration of 11700 mg/kg orally.50 % mortality observed at 11700 mg/kg bw. Therefore, LD50 was considered to 11700 mg/kg bw when rat were treated with 2-Amino-5-methylbenzenesulfonic acid orally.  

The above study is also supported by U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance 4-aminobenzenesulphonic acid (CAS no.: 121-57-3). In an acute oral toxicity study, rat was treated at the concentration of12300 mg/kg bw. 50% mortality observed at 12300 mg/kg bw. Therefore, LD50 was considered to 12300 mg/kg bw when rat were treated with Sulfanilic acid orally.    

Thus, based on the above studies on Ethylbenzenesulphonic acid (CAS no: 57352-34-8) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Ethylbenzenesulphonic acid can be classified as category V of acute oral toxicity.

Acute Inhalation toxicity: 

In different studies, Ethylbenzenesulphonic acid (57352-34-8) has been investigated for acute inhalation toxicity to a greater or lesser extent. Often are the studies based on in-vivo experiments in rodents, i.e. most commonly in rats for Ethylbenzenesulphonic acid along with the study available on structurally similar read across substancesSodium toluenesulphonate (12068-03-0) and Sodium cumenesulphonate (28348-53-0). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute inhalation toxicity was estimated for Ethylbenzenesulphonic acid (57352-34-8). The LC50 was estimated to be 652 mg/L air, when Wistar male and female rats were exposed with Ethylbenzenesulphonic acid for 4 h of exposure period by inhalation route.

The above study is supported by Bergfeldet al. (International Journal of Toxicology; Vol 30, Issue 6_suppl, pp. 270S - 283S; 2011) and United Nations Environmental Programme (UNEP, 2005), for the structurally similar read across substance Sodium toluenesulphonate (12068-03-0).The acute inhalation toxicity study was conducted in 10 Wistar male/female rat at the concentration of557000mg/m3. No mortality was observed at 557000 mg/m3.Therefore, LC50 was considered to be >557000 mg/m3, when Wistar male/female rat was treated with Sodium toluenesulphonate by inhalation.

These results are further supported by Bergfeldet al. (International Journal of Toxicology; Vol 30, Issue 6_suppl, pp. 270S - 283S; 2011) and United Nations Environmental Programme (UNEP, 2005), for the structurally similar read across substance Sodium cumenesulphonate (28348-53-0).The acute inhalation toxicity study was conducted in 10 Wistar male/female rat at the concentration of 770000mg/m3. No mortality was observed at 770000 mg/m3.Therefore, LC50 was considered to be >770000 mg/m3, when Wistar male/female rat was treated with Sodium cumenesulphonate by inhalation.

Thus, based on the above studies on Ethylbenzenesulphonic acid (57352-34-8) and it’s read across substances, it can be concluded that LC50 value is greater than 5 mg/L air. Thus, comparing this value with the criteria of CLP regulation, Ethylbenzenesulphonic acid can be classified as category V of acute inhalation toxicity.

Acute Dermal toxicity:

In different studies, Ethylbenzenesulphonic acid (57352-34-8) has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rabbits for Ethylbenzenesulphonic acid along with the study available on structurally similar read across substances Ethylbenzene (100-41-4) and Sodium cumenesulphonate (28348-53-0). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for Ethylbenzenesulphonic acid (CAS no: 57352-34-8). The LD50 was estimated to be 2143 mg/kg bw, when New Zealand White male rabbit was treated with Ethylbenzenesulphonic acid for 24 hours by dermal application occlusively.

This study is supported by IFA GESTIS (GESTIS SUBSTANCE Database, 2017), for the structurally similar read across substance Ethylbenzene (100-41-4).In an acute dermal toxicity study, rabbits were treated at the concentration of 15400mg/kg bw to the covered skin. 50% mortality was observed at 15400 mg/kg bw for exposure of 24 h. Therefore, LD50 was considered to be 15400 mg/kg bw, when rabbits were treated with Ethylbenzene occlusively for 24 h exposure to the skin.

The above study is further supported by Bergfeldet al. (International Journal of Toxicology; Vol 30, Issue 6_suppl, pp. 270S - 283S; 2011), for the structurally similar read across substance Sodium cumenesulphonate (28348-53-0).In an acute dermal toxicity study, rabbits were treated at the concentration of 2000 mg/kg bw to the skin. No mortality was observed at 2000 mg/kg bw. Therefore, LD50 was considered to be >2000 mg/kg bw, when rabbits were treated with Sodium cumenesulphonate by dermal application.

Thus, based on the above studies on Ethylbenzenesulphonic acid (57352-34-8) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Ethylbenzenesulphonic acid can be classified as category V of acute dermal toxicity.

Justification for classification or non-classification

Based on the above studies and prediction on Ethylbenzenesulphonic acid (CAS no: 57352-34-8) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw for acute oral and dermal toxicity. LC50 value is greater than 5 mg/L air. Thus, comparing this value with the criteria of CLP regulation, Ethylbenzenesulphonic acid can be classified as category V for acute oral, dermal and inhalation toxicity.