Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex

Endpoint summary

Description of key information

The skin sensitization potential of aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5) was assessed in various studies. Thus based on the data available for test as well as its two structurally similar read across substances and applying weight of evidence, it can be concluded that the chemical aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5) failed to induce contact sensitization and hence is considered to be not sensitizing to and can be classified under the category ˋ Not Classified’ as per CLP regulation.

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:

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 2.3 and 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 2.3

GLP compliance:

not specified

Type of study:

guinea pig maximisation test

Justification for non-LLNA method:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex
- Substance type: Organic
- Physical state: Solid

Species:

guinea pig

Strain:

Dunkin-Hartley

Sex:

not specified

Details on test animals and environmental conditions:

not specified

Route:

intradermal and epicutaneous

Vehicle:

no data

Concentration / amount:

No data available

Day(s)/duration:

No data available

Adequacy of induction:

not specified

No.:

#1

Route:

epicutaneous, occlusive

Vehicle:

not specified

Concentration / amount:

No data available

Day(s)/duration:

72 hours

Adequacy of challenge:

not specified

No. of animals per dose:

20

Details on study design:

No data available

Positive control substance(s):

not specified

Reading:

1st reading

Hours after challenge:

72

Group:

test chemical

Dose level:

No data available

No. with + reactions:

0

Total no. in group:

20

Clinical observations:

No sensitiztion to the skin of guinea pig was observed.

Remarks on result:

no indication of skin sensitisation

Cellular proliferation data / Observations:

No sensitiztion to the skin of guinea pig was observed.

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

(((((((("g" and ( not "h") ) and ("i" and ( not "j") ) ) and "k" ) and "l" ) and "m" ) and "n" ) and "o" ) and ("p" and "q" ) )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Azo compounds AND MA: Nitrenium ion formation AND MA: Radical mechanism by ROS formation AND Mechanistic Domain: Radical AND Mechanistic Domain: SN1 by DNA binding by OASIS

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Strong binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "c"

Similarity boundary:Target: c1(O)(.[Al]{3+})c(N=Nc2ccc(S(=O)(=O)O)cc2)c2c(cc(S(=O)(=O)O)cc2)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Azo compounds AND MA: Nitrenium ion formation AND MA: Radical mechanism by ROS formation AND Mechanistic Domain: Radical AND Mechanistic Domain: SN1 by DNA binding by OASIS

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Strong binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "f"

Similarity boundary:Target: c1(O)(.[Al]{3+})c(N=Nc2ccc(S(=O)(=O)O)cc2)c2c(cc(S(=O)(=O)O)cc2)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "g"

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

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Alkyl phenols OR Alpha, beta- unsaturated esters OR Arenes OR Aromatic azo OR Aromatic nitro OR Ethanolamines (including morpholine) OR Hydroquinones OR MA: Chemicals Activated by P450 to Glyoxal OR MA: Nitrenium Ion Formation OR MA: P450 Mediated Activation to Quinones and Quinone-type Chemicals OR MA: Polarised Alkenes_Michael addition OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Schiff base OR Mechanistic Domain: SN1 OR Primary aromatic amine OR Secondary aromatic amine OR Tertiary aromatic amine by DNA binding by OECD

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Activated alkyl esters OR Activated alkyl or aryl esters OR alpha,beta-carbonyl compounds with polarized double bonds OR Amide OR Benzylic esters OR Diarylesters OR Diketones OR Dithioester OR MA: Electrostatic interaction of tetraalkylammonium ions with protein carboxylates OR MA: Ester aminolysis OR MA: Ester aminolysis or thiolysis OR MA: Michael addition on conjugated systems with electron withdrawing group OR MA: Nucleophilic cycloaddition to diketones OR MA: Nucleophilic substitution at sp3 Carbon atom OR MA: Nucleophilic substitution on benzylic carbon atom OR Mechanistic Domain: Acylation OR Mechanistic Domain: Ionic OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Schiff base formation OR Mechanistic Domain: SN2 OR Tetraalkylammonium ions by Protein binding by OASIS

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extension)

Domain logical expression index: "l"

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

Domain logical expression index: "m"

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

Domain logical expression index: "n"

Similarity boundary:Target: c1(O)(.[Al]{3+})c(N=Nc2ccc(S(=O)(=O)O)cc2)c2c(cc(S(=O)(=O)O)cc2)cc1
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "o"

Similarity boundary:Target: c1(O)(.[Al]{3+})c(N=Nc2ccc(S(=O)(=O)O)cc2)c2c(cc(S(=O)(=O)O)cc2)cc1
Threshold=40%,
Dice(Atom pairs)

Domain logical expression index: "p"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.786

Domain logical expression index: "q"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.71

Interpretation of results:

other: not sensitising

Conclusions:

The substance Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.

Executive summary:

The skin sensitization potential of Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)was estimated using OECD QSAR toolbox version 2.3 with log Pow as the primary descriptor. The substance Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not sensitising)

Additional information:

Skin sensitization

Various studieshas been investigated for the test chemicalaluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)to observe the potential for dermal sensitization to a greater or lesser extent. The studies are based on in vivo experiments in humans for target chemicalaluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5) and itsstructurally similarread across substancesaluminium, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 68583-95-9), Allura Red AC dye (CAS No: 25956-17-6)and D & C Red No. 6 (CAS no: 5858-81-1).The predicted data usingQSAR toolboxthe has also been compared with the experimental data and summarized as below;

 

The skin sensitization potential of Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)was estimated using OECD QSAR toolbox version 2.3 with log Pow as the primary descriptor. The substance Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.

 

The IPCS INCHEM { Allura red AC (WHO Food Additives Series 15); IPCS INCHEM; 1981} conducted Draize-Shelanski repeated insult patch test on 200 human subjects to assess the skin sensitization potential of read across substance aluminium, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 68583-95-9). In this study, the chemical applied to the subjects volvar forearms (200 subjects) as an aqueous solution for 10 alternate days, for 24-hour periods, followed by a 14-day rest period. Challenge batches were then applied under occlusion to fresh skin sites on the subjects scapular backs for 24 hours. The colour did not produce either irritation or allergic responses during the induction phase nor contact dermatitis in the challenge period.  Therefore aluminium, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 68583-95-9) was considered to be not sensitizing in a Draize-Shelanski repeated insult patch test conducted on 200 human subjects.

 

Another skin sensitization studies were conducted by IPCS INCHEM {Allura red AC (WHO Food Additives Series 15); IPCS INCHEM; 1981} for read across chemical Allura Red AC dye (CAS No: 25956-17-6). In this study, Prophetic patch test was performed on 200 human subjects for screening the skin sensitization potential of chemical Allura Red AC dye (CAS No: 25956-17-6). The chemical Allura Red was applied either as a neat or as a 25% aqueous solution to the skin of 200 human subjects. The initial exposure to the compound was for 72 hours, and this was followed by a 24-hour application 10 to 14 days later. None of the subjects exhibited compound induced contact sensitization. Hence the chemical Allura Red AC dye (CAS No: 25956-17-6) was considered to be not sensitizing to the skin of 200 human subjects in a prophetic patch test.

 

The above results were further supported by the experimental study carried out by Guin JD.{Contact Dermatitis, 2003: 49: 217–218} for read across chemicalD & C Red No. 6 (CAS no: 5858-81-1) via performing patch test on human patients. The dye was applied on 15 patients in Finn Chambers and read first at 2 or (more commonly) 3 days and again at 4–7 days. The reactions of the patients were graded as ‘?+ ‘ , ‘+’ and ‘++’ categories.  None of the treated patients showed any signs of allergic contact dermatitis. Hence the chemical D & C Red No. 6 (CAS no: 5858-81-1) can be considered as non-sensitizer to human skin.

 

Thus based on the data available for target as well as its read across substances and applying weight of evidence, it can be concluded that the chemical aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5) was not sensitizing to the skin and can be classified under the category ˋ Not Classified’ as per CLP regulation.

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

The skin sensitization potential of test substance aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5) and itsstructurally similarread across substancesaluminium, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 68583-95-9), Allura Red AC dye (CAS No: 25956-17-6)and D & C Red No. 6 (CAS no: 5858-81-1) were observed in various studies. From the results obtained from these studies it is concluded that the chemical aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5) is not likely to cause skin sensitization and hence can be classified as non-skin sensitizer.