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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 from OECD Q(S)AR toolbox v 3.3
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: predicted data
Principles of method if other than guideline:
Prediction was done using OECD Q(S)AR toolbox v 3.3
GLP compliance:
not specified
Type of study:
guinea pig maximisation test
Test material information:
Composition 1
Species:
guinea pig
Strain:
Dunkin-Hartley
Sex:
female
Route:
intradermal and epicutaneous
Vehicle:
water
Concentration / amount:
ii)a 25% (w/v) dilution of test material in distilled water.
iii) a 25%(w/v) dilution of test material in a 1:1 preparation of Freund's Complete Adjuvant plus distilled water.
Route:
epicutaneous, occlusive
Vehicle:
water
Concentration / amount:
ii)a 25% (w/v) dilution of test material in distilled water.
iii) a 25%(w/v) dilution of test material in a 1:1 preparation of Freund's Complete Adjuvant plus distilled water.
No. of animals per dose:
10 Guineapigs/dose
Positive control substance(s):
not specified
Reading:
1st reading
Group:
test group
No. with + reactions:
0
Clinical observations:
no reactions observed
Remarks on result:
other: Reading: 1st reading. Group: test group. No with. + reactions: 0.0. Clinical observations: no reactions observed.





The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"
Estimation method: Takes mode value from the 6 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 ("i" and ( not "j") )  )  and ("k" and ( not "l") )  )  and ("m" and "n" )  )

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 Aniline AND Aryl AND Fused carbocyclic aromatic AND Naphtalene AND Sulfonic acid by Organic Functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aniline AND Fused carbocyclic aromatic AND Naphtalene 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 No alert found by Protein binding by OECD

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR Acylation >> Direct Acylation Involving a Leaving group >> Acyl halides (including benzyl and carbamoyl deriv.) OR Michael addition OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - sulfinyl OR Michael addition >> Polarised Alkenes >> Polarised alkene - sulfone OR SN2 OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related chemicals OR SNAr OR SNAr >> Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >> Halo-pyrimidines OR SNAr >> Nucleophilic aromatic substitution >> Halo-triazines by Protein binding by OECD

Domain logical expression index: "h"

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

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as No alert found by Protein binding alerts for Chromosomal aberration by OASIS v.1.2

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Acylation involving an activated (glucuronidated) carboxamide group OR Acylation >> Acylation involving an activated (glucuronidated) carboxamide group >> Carboxylic Acid Amides OR Acylation >> Acylation involving an activated (glucuronidated) sufonamide group OR Acylation >> Acylation involving an activated (glucuronidated) sufonamide group >> Arenesulphonamides OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Carboxylic Acid Amides OR AN2 OR AN2 >> Michael addition to the quinoid type structures OR AN2 >> Michael addition to the quinoid type structures >> Carboxylic Acid Amides OR AN2 >> Michael addition to the quinoid type structures >> Substituted Anilines OR AN2 >> Nucleophilic addition at polarized N-functional double bond OR AN2 >> Nucleophilic addition at polarized N-functional double bond >> Arenesulphonamides by Protein binding alerts for Chromosomal aberration by OASIS v.1.2

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Acidic [90,100] AND Basic [0,10) by Ionization at pH = 9

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Acidic [0,10) OR No pKa value OR No pKb value by Ionization at pH = 9

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.85

Domain logical expression index: "n"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.673

Interpretation of results:
not sensitising
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The test substance was estimated to be not sensitizing to female guinea pigs in a maximization assay.
Executive summary:

The skin sensitizing potential for (5or8)-aminonaphthalene-2-sulphonic acid was estimated using OECD QSAR toolbox version 3.3

The test substance was estimated to be not sensitizing to female guinea pigs in a maximization assay.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)
Additional information:

Skin sensitization

The skin sensitizing potential for (5or8)-aminonaphthalene-2-sulphonic acid was estimated using OECD QSAR toolbox version 3.3. The test substance was estimated to be not sensitizing to female guinea pigs in a maximization assay.

 

Based on the QSAR prediction done using the Danish (Q)SAR Database, the skin sensitization was estimated to be sensitizing on guinea pig and human for(5Or8)-aminonaphthalene-2-sulphonic acid (CAS No: 51548-48-2). Thus it can be concluded that the substance (5Or8)-aminonaphthalene-2-sulphonic acidhas positive skin sensitization effects and based on the CLP criteria for classification it can be classified as skin sensitizer.

In other study by (HEALTH AND CONSUMER PROTECTION DIRECTORATE GENERAL, 2006) with similar substance(CAS No: -5997-53-5) was observed in guinea pig.The skin sensitization study of Sodium phenylbenzimidazole sulfonate (CAS No: -5997-53-5)was performed in male and female Pirbright white guinea pigs to observed its sensitizing efficacy. During induction phase, the test chemical was applied on the left flank 5 times weekly for 2 weeks at concentrations 30% and 5 % of test solution along with positive control (2% DNCB solution) and control vehicle (water). Each group contained 5 males and 5 females. Untreated group of animals were also used which include 9 males and 11 females. After 7 days of induction exposure, animals were challenged at 10% of the induction concentration and observations were made. All animals tested with DNCB produced an erythematous reaction 3 hours after application of the elicitation dose. No reaction observed at the site of application of the test substance. Therefore based upon the observations, Sodium phenylbenzimidazole sulfonate (CAS No: -5997-53-5) was judge to be not sensitizing to guinea pigs.

In other study by (HEALTH AND CONSUMER PROTECTION DIRECTORATE GENERAL, 2006) with similar substance (CAS No: -5997-53-5) was observed in guinea pig. The skin sensitization study of Sodium phenylbenzimidazole sulfonate (CAS No: -5997-53-5) was performed on Dunkin Hartley guinea pigs to observed its sensitizing efficacy. In induction phase 20 test and 10 negative controls were used. Animals were induced with intradermal injections of 0.1ml Freund’s complete adjuvant in water, HR 92/103089 Na 25% w/v in water, and Freund’s + HR 92/103089 Na 25% w/v in water (1:1) into three separate sites.After 1 week, a single topical application of 0.2 – 0.3 ml HR 92/103089 Na as supplied under occlusion for 48 hours was applied.

In other study by (HEALTH AND CONSUMER PROTECTION DIRECTORATE GENERAL, 2006) with similar substance (CAS No: -27503-81-7) was observed in guinea pig. The skin sensitization study of Ensulizole(CAS No: -27503 -81 -7 ) was performed in Dunkin Hartley guinea pigs to observed its sensitizing efficacy.In induction phase 20 test and 10 negative controls were used. Animals were induced with intradermal injections of 0.1ml Freund’s complete adjuvant in water, HR 92/103089 1% w/v in arachis oil, and Freund’s + HR 92/103089 1% w/v in arachis oil (1:1) into three separate sites.After 1 week, a single topical application of0.2 – 0.3 ml HR 92/103089 50% w/w in arachis oilunder occlusion for 48 hours was applied. On day 21 animals were challenged with 0.l-0.2 ml HR 92/103089 25 and 10% w/w in arachis oil. Since there was no evidence of any skin reaction, the test materialEnsulizole can be concluded as not sensitizing to guinea pigs.

On the basis of available information for the target as well as read across substance and applying weight of evidence approach, the test substance can be considered as not sensitising to the skin.


Migrated from Short description of key information:
The skin sensitizing potential for (5or8)-aminonaphthalene-2-sulphonic acid was estimated using OECD QSAR toolbox version 3.3. The test substance was estimated to be not sensitizing to female guinea pigs in a maximization assay.

Justification for selection of skin sensitisation endpoint:
The skin sensitizing potential for (5or8)-aminonaphthalene-2-sulphonic acid was estimated using OECD QSAR toolbox version 3.3. The test substance was estimated to be not sensitizing to female guinea pigs in a maximization assay.

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)

Justification for classification or non-classification

The test substance (5Or8)-aminonaphthalene-2-sulphonic acid was not sensitizing to skin, so it can be classified as non-sensitizer.