Methanetrisulphonic acid

Endpoint summary

Description of key information

The skin sensitization potential of Methanetrisulfonic acid (CAS no: 54322-33-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The Methanetrisulfonic acid (CAS no: 54322-33-7) was estimated to be not sensitizing to the female CBA Mice. Based on the estimated result Methanetrisulfonic acid (CAS no: 54322-33-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to female CBA Mice.

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation: in vivo (LLNA)

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 QMRF report has been attached

Qualifier:

according to guideline

Guideline:

OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.3

GLP compliance:

not specified

Type of study:

mouse local lymph node assay (LLNA)

Species:

mouse

Strain:

CBA

Sex:

female

Details on test animals and environmental conditions:

No data available

Vehicle:

acetone/olive oil (4:1 v/v)

Concentration:

No data available

No. of animals per dose:

No data available

Details on study design:

No data available

Parameter:

SI

Value:

1.5

Remarks on result:

other: no senitization was observed.

Cellular proliferation data / Observations:

No senitization was observed.

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

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Sulfonic acid by Organic Functional groups

Domain logical expression index: "b"

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

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Hydroxy, sulfur attach [-OH] OR Miscellaneous sulfide (=S) or oxide (=O) OR S(=O)N{-S(=O); P(=O)}  OR Suflur {v+4} or {v+6} OR Sulfinic acid [-S(=O)OH] OR Sulphonate, aliphatic attach [-SO2-O] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "d"

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

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND S(=O)N{-S(=O); P(=O)}  AND Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulphonate, aliphatic attach [-SO2-O] by Organic functional groups (US EPA)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by DPRA Cysteine peptide depletion

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Low reactive OR Low reactive >> N-substituted aromatic amides OR Low reactive >> Sulfanilic acid derivatives OR Moderate reactive OR Moderate reactive >> Activated 1,3,5-triazine derivatives by DPRA Cysteine peptide depletion

Domain logical expression index: "h"

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

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as SN1 OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >> Aromatic azo OR SN1 >> Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine OR SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine OR SN2 OR SN2 >> Episulfonium Ion Formation OR SN2 >> Episulfonium Ion Formation >> Mustards by DNA binding by OECD

Domain logical expression index: "j"

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

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Moderate binder, NH2 group OR Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non binder, without OH or NH2 group OR Strong binder, NH2 group by Estrogen Receptor Binding

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is >= -5.51

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.73

Interpretation of results:

other: not sensitising

Conclusions:

The Methanetrisulfonic acid (CAS no: 54322-33-7)was estimated to be not sensitizing to the female CBA Mice . Based on the estimated result Methanetrisulfonic acid (CAS no: 54322-33-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to female CBA Mice.

Executive summary:

The skin sensitization potential of Methanetrisulfonic acid (CAS no: 54322-33-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The Methanetrisulfonic acid (CAS no: 54322-33-7)was estimated to be not sensitizing to the female CBA Mice . Based on the estimated result Methanetrisulfonic acid (CAS no: 54322-33-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to female CBA Mice and can be classified under the category ˋ Not Classified’ as per CLP regulation.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not sensitising)

Additional information:

Skin sensitization:

Various studieshas been investigated for the test chemicalMethanetrisulfonic acid (CAS no: 54322-33-7)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs for target chemical Methanetrisulfonic acid (CAS no: 54322-33-7) and its structurally similar read across substancesMethane Sulfonic Acid (CAS No: 75-75-2) and Methanetrisulfonic acid (CAS no: 54322-33-7).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;

The skin sensitization potential of Methanetrisulfonic acid (CAS no: 54322-33-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The Methanetrisulfonic acid (CAS no: 54322-33-7) was estimated to be not sensitizing to the female CBA Mice. Based on the estimated result Methanetrisulfonic acid (CAS no: 54322-33-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to female CBA Mice.

 

The U.S. National Library of Medicine (2017 ) and U.S. Environmental Protection Agency (2017 ) carried out a Buehler Test was conducted on male and female Hartley guinea pigs for functionally similar read across substance Methane Sulfonic Acid (CAS No: 75-75-2) to assess the skin sensitization effects caused by the chemical.A preliminary study was conducted in order to determine the concentrations to be tested in the main study. In sensitization study, the animals were induced topically with 0.3 ml of test substance (treated group) or with the vehicle (control group) on the left shoulder at concentration of 50% of methane sulfonic acid 70% solution (i.e. 35% of methane sulfonic acid) on day 1.On day 7, the same region received another topical application and on day 14, this same site was treated by a last topical application all these applications lasted approximately 6 hours. Induction frequency was three applications in 14 days, followed by a 24 hour challenge treatment on day 28 at concentration of 25% of methane sulfonic acid 70% solution (i.e. 17.5% of methane sulfonic acid). None of the test animals responded with a skin grade that would have been suggestive of sensitization. Hence the test materialMethane Sulfonic Acid (CAS No: 75-75-2) was considered to be not sensitizing onskin of 20 guinea-pigs.

The above results were further supported by the skin sensitization study ofstructurally similar read across substance Methallyl sulfonate (CAS No:-1561-92-8) by the EUROPEAN COMMISSION – European Chemicals Bureau (2000) in 20 guinea pigs to observed its sensitizing potential according to guinea pig maximization test. During the test, the guinea pigs did not produce any sensitization potential .Thus Methallyl sulfonate(CAS No:-1561-92-8) was considered to be non sensitizing to the skin of guinea pigs.

 

 

Thus on the basis of available data for thetarget chemicalMethanetrisulfonic acid (CAS no: 54322-33-7) andits structurally similar read across substancesMethane Sulfonic Acid (CAS No: 75-75-2) and Methanetrisulfonic acid (CAS no: 54322-33-7),it can be concluded thatchemical Methanetrisulfonic acid (CAS no: 54322-33-7) is unable to cause skin sensitization and considered as non skin sensitizer.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

The skin sensitization potential of test substance Methanetrisulfonic acid (CAS no: 54322-33-7) and its structurally similar read across substancesMethane Sulfonic Acid (CAS No: 75-75-2) and Methanetrisulfonic acid (CAS no: 54322-33-7) were observed in various studies. From the results obtained from these studies it is concluded that the chemical Methanetrisulfonic acid (CAS no: 54322-33-7)is not likely to cause skin sensitization and hence can be classified as non skin sensitizer.