Registration Dossier

Administrative data

Description of key information

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
Reference:
Composition 0
Qualifier:
according to
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
Test material information:
Composition 1
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:
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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