Disodium 6-hydroxy-5-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate

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)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 2.3.

GLP compliance:

no

Type of study:

Draize test

Species:

rabbit

Strain:

not specified

Sex:

not specified

Route:

other: no data

Vehicle:

no data

Route:

other: no data

Vehicle:

no data

Positive control substance(s):

not specified

Reading:

1st reading

Group:

test chemical

Clinical observations:

weakly sensitising to rabbit skin

Remarks on result:

other: Reading: 1st reading. Group: test group. Clinical observations: weakly sensitising to rabbit skin.

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

(((("a" and ("b" and ( not "c") ) ) and ("d" and ( not "e") ) ) and ("f" and ( not "g") ) ) and ("h" and "i" ) )

Domain logical expression index: "a"

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

Domain logical expression index: "b"

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

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acetates OR Allyl acetates and related chemicals OR MA: Direct Acting Schiff Base Formers OR MA: Direct Acylation Involving a Leaving group OR MA: Polarised Alkenes OR MA: SN2 reaction at sp3 carbon atom OR Mechanistic Domain: Acylation OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Schiff Base Formers OR Mechanistic Domain: SN2 OR Mono-carbonyls OR Polarised alkene - esters by Protein binding by OECD

Domain logical expression index: "d"

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

Domain logical expression index: "e"

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

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Anion AND Aromatic compound AND Azo compound AND Cation AND Hydroxy compound AND Phenol 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 1,2-diphenol OR Alcohol OR Alkylarylether OR Alpha-hydroxyacid OR Amine OR Carbonic acid derivative OR Carbonic acid diester OR Carbonyl compound OR Carboxylic acid OR Carboxylic acid amide OR Carboxylic acid derivative OR Carboxylic acid ester OR Carboxylic acid prim. amide OR Carboxylic acid sec. amide OR CO2 derivative (general) OR Dialkylether OR Ether OR Heterocyclic compound OR Ketone OR Nitro compound OR Primary alcohol OR Primary aliphatic amine OR Primary amine OR Primary aromatic amine OR Secondary amine OR Secondary mixed amine (aryl, alkyl) OR Sulfonic acid OR Sulfuric acid derivative OR Tertiary amine OR Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.74

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.35

Interpretation of results:

not sensitising

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

According to the quantitative structure activity relationship model prediction, Disodium 6-hydroxy-5-[(4-sulphonatophenyl) azo] naphthalene-2-sulphonate was predicted as a weak sensitizer to human skin. However, this sensitization effect was not considered adequate enough for the classification of the substance as a skin sensitisation category.

Executive summary:

According to the quantitative structure activity relationship model prediction, Disodium 6-hydroxy-5-[(4-sulphonatophenyl) azo] naphthalene-2-sulphonate was predicted as a weak sensitizer to human skin. However, this sensitization effect was not considered adequate enough for the classification of the substance as a skin sensitisation category.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not sensitising)

Additional information:

Skin sensitization:

Based on studies were reviewed for skin sensitization with Klimish rating 2 and 4 for the target and read across substance for CAS: 2783-94-0 considering weight of evidence approach.

The results for target as well as analogues are summarized as follows:

Sr.No	Type of study	Species	Interpretation of results	Conclusion	Sources
1.	-	rabbit	Non sensitizing	Disodium 6-hydroxy-5-[(4-sulphonatophenyl) azo] naphthalene-2-sulphonate was predicted as a weak sensitizer to human skin. However, this sensitization effect was not considered adequate enough for the classification of the substance as a skin sensitisation category.	Predicted data from QSAR for target CAS:2783-94-0
2.	Magnusson & Kligman Maximisation test	guinea pig(Dunkin-Hartley)	Non sensitizing	After challenge no skin reactions were observed. Therefore, based on the result in this adjuvant test in guinea pigs the test article Acid Orange 7 was considered as a non-sensitizer.	Experimental Data from study report for read across CAS:633-96-5
3.	Draize-Shelanski repeated insult patch test	human	Non sensitizing	In 14 days rest period study disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (ALLURA RED AC) when applied to human skin did not produce allergic responses during the induction phase nor contact dermatitis in the challenge period.	Experimental Data from study report for read across CAS:25956-17 -6

 

Based on the studies summarized in the above table for substance disodium 6-hydroxy-5-[(4-sulphonatophenyl) azo]naphthalene-2-sulphonate and read across substance,the endpoint results showed negative sensitization effect torabbit,humanandguinea pig(Dunkin-Hartley) thus it is concluded that disodium 6-hydroxy-5-[(4-sulphonatophenyl) azo]naphthalene-2-sulphonate was found to be a non sensitizer to skin. Thus disodium 6-hydroxy-5-[(4-sulphonatophenyl) azo]naphthalene-2-sulphonate is considered to be not classified as skin sensitizer. 

Migrated from Short description of key information:

The test substance Disodium 6-hydroxy-5-[(4-sulphonatophenyl) azo] naphthalene-2-sulphonate  was found to be negative skin sensitiser.

Justification for selection of skin sensitisation endpoint:

According to the quantitative structure activity relationship model prediction, Disodium 6-hydroxy-5-[(4-sulphonatophenyl) azo] naphthalene-2-sulphonate was predicted as a weak sensitizer to human skin. However, this sensitization effect was not considered adequate enough for the classification of the substance as a skin sensitisation category.

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

Based upon the weight of evidence approach and considering data from other authoritative sources, it is concluded that disodium 6-hydroxy-5-[(4-sulphonatophenyl) azo]naphthalene-2-sulphonate is not likely to exhibit sensitization effect on the skin of rabbit, human and guinea pig.Thus, the chemical is considered to be non-sensitizing for the purpose of classification.