2,4-diaminobenzenesulphonic acid

Endpoint summary

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation: in vivo (non-LLNA)

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Data is from (Q)SAR toolbox

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

OECD Guideline 406 (Skin Sensitisation)

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.4

GLP compliance:

not specified

Type of study:

guinea pig maximisation test

Species:

guinea pig

Strain:

not specified

Sex:

not specified

Route:

other: no data

Vehicle:

no data

Remarks:

no data

Adequacy of induction:

not specified

Route:

other: no data

Vehicle:

no data

Remarks:

no data

Adequacy of challenge:

not specified

No. of animals per dose:

no data

Details on study design:

no data

Challenge controls:

no data

Positive control substance(s):

not specified

Reading:

1st reading

Group:

other: not specified

Dose level:

not specified

Clinical observations:

not specified

Remarks on result:

other: not specified

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" or "f" )  and "g" )  and "h" )  and ("i" and ( not "j") )  )  and ("k" and "l" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aminoaniline, meta AND Aniline AND Aryl AND Sulfonic acid by Organic Functional groups

Domain logical expression index: "c"

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

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aliphatic Nitrogen, one aromatic attach [-N] 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)

Domain logical expression index: "e"

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

Domain logical expression index: "f"

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

Domain logical expression index: "g"

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

Domain logical expression index: "h"

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

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as (!Undefined)Group All Lipid Solubility < 0.01 g/kg AND (!Undefined)Group CNS Surface Tension > 62 mN/m AND Group All log Kow < -3.1 AND Group All Melting Point > 200 C AND Group CNS log Kow < 0.5 AND Group CNS log Kow < -2 AND Group CNS Melting Point > 120 C AND Group CNS Melting Point > 50 C by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as (!Undefined)Group CN Lipid Solubility < 0.4 g/kg OR (!Undefined)Group CNHal Lipid Solubility < 4 g/kg OR (!Undefined)Group CNHal Lipid Solubility < 400 g/kg OR Exclusion rules not met OR Group CN Melting Point > 180 C OR Group CN Vapour Pressure < 0.001 Pa OR Group CNHal Aqueous Solubility < 0.1 g/L OR Group CNHal log Kow > 3.8 by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of log Kow which is >= -4.23

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.37

Interpretation of results:

sensitising

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The substance 2,4-Diaminobenzenesulfonic acid is estimated to be sensitizing to skin of guinea pigs.

Executive summary:

The skin sensitization potential for 2,4-Diaminobenzenesulfonic acid is estimated using OECD QSAR toolbox version 3.4

The test substance 2,4-Diaminobenzenesulfonic acid is estimated to be sensitizing to skin of guinea pigs.

Endpoint conclusion

Endpoint conclusion:

adverse effect observed (sensitising)

Additional information:

Skin sensitization

Skin sensitization effects by (OECD QSAR toolbox v 3.4) were observed for test chemical 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1)in guinea pigs. According to OECD QSAR toolbox version 3.4 test chemical 2,4-Diaminobenzene sulfonic acid (CAS No:88-63-1) was able to cause skin sensitization in guinea pigs . Therefore it is concluded that 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1) sensitizing to guinea pigs.

Another study performed by IFA (GESTIS) 2016, for similar read across substance Sulfanilic acid (CAS No: 121­57­3) to observe its skin sensitization potential in guinea pigs and mouse via guinea pig maximization test and mouse ear swelling test. Since the chemical produced known skin reactions in animals, Sulfanilic acid (CAS No: 121­57­3) can be considered as sensitizing to guinea pigs and mouse.

Therefore on the basis of available data for target substance as well as for read across substance and applying weight of evidence approach, the test chemical 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1) can be considered as skin sensitizer.

Migrated from Short description of key information:

Skin sensitization effects by (OECD QSAR toolbox v 3.4) were observed for test chemical 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1)in guinea pigs. According to OECD QSAR toolbox version 3.4 test chemical 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1) was able to cause skin sensitization in guinea pigs . Therefore it is concluded that 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1) sensitizing to guinea pigs.

Justification for selection of skin sensitisation endpoint:

Skin sensitization effects by (OECD QSAR toolbox v 3.4) were observed for test chemical 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1)in guinea pigs. According to OECD QSAR toolbox version 3.4 test chemical 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1) was able to cause skin sensitization in guinea pigs . Therefore it is concluded that 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1) sensitizing to guinea pigs.

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

The skin sensitization potential of test chemical 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1) was observed in various studies. From the results obtained from these studies it is concluded that the chemical 2,4-Diaminobenzenesulfonic acid (CAS No:88-63-1) is likely to cause skin sensitization and can be concluded as skin sensitizer

Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.