Disodium 8-hydroxynaphthalene-1,6-disulphonate

Endpoint summary

Description of key information

The skin sensitization potential of target chemical Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3) was assessedin various experimental studies which were conducted on guinea pigs, rabbits and humans for target chemicalDisodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3) andD & C Red No. 6 (CAS no: 5858-81-1)and D & C Red no. 33 (CAS no: 3567-66-6). The predicted data usingQSAR toolboxhas also been compared with the experimental data.Based on the available data for the target and read across substances and applying the weight of evidence approach, it can be concluded that chemical Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3) is unable to cause skin sensitization and thus can be considered as not sensitizing. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.

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 3.4 and QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: Estimated data

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 (IUPAC name): Disodium 8-hydroxynaphthalene-1,6-disulfonate
- Molecular formula: C10H6Na2O7S2
- Molecular weight: 348.2624 g/mol
- Smiles notation: c1cc2cc(cc(c2c(c1)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]
- InChl: 1S/C10H8O7S2.2Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
- Substance type: Organic
- Physical state: Solid

Species:

guinea pig

Strain:

Dunkin-Hartley

Sex:

female

Details on test animals and environmental conditions:

No data available

Route:

intradermal and epicutaneous

Vehicle:

not specified

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:

48 hours

Adequacy of challenge:

not specified

No. of animals per dose:

10

Details on study design:

No data available

Reading:

1st reading

Hours after challenge:

48

Group:

test chemical

Dose level:

No data available

No. with + reactions:

0

Total no. in group:

10

Clinical observations:

No skin sensitization was observed in treated group.

Remarks on result:

no indication of skin sensitisation

Cellular proliferation data / Observations:

No skin sensitization was observed in treated group.

The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 8 nearest neighbours
Domain  logical expression:Result: In Domain

(((((("a" or "b" or "c" or "d" )  and ("e" and ( not "f") )  )  and ("g" and ( not "h") )  )  and ("i" and ( not "j") )  )  and "k" )  and ("l" and "m" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Naphthalene sulfonic acids, condensates by OECD HPV Chemical Categories

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"

Referential boundary: The target chemical should be classified as AN2 AND AN2 >> Michael-type addition to quinoid structures  AND AN2 >> Michael-type addition to quinoid structures  >> Substituted Phenols by Protein binding by OASIS v1.4

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acid moiety AND Phenols AND Salt by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "e"

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

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Benzylamines-Acylation OR Michael addition OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones OR SN1 OR SN1 >> Carbenium Ion Formation OR SN1 >> Carbenium Ion Formation >> Allyl benzenes OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >> Aromatic azo OR SN1 >> Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion formation >> Aromatic phenylureas OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine OR SN1 >> Nitrenium Ion formation >> Secondary aromatic amine OR SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine OR SN2 OR SN2 >> Direct Acting Epoxides and related OR SN2 >> Direct Acting Epoxides and related >> Epoxides OR SN2 >> SN2 at an sp3 Carbon atom OR SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides by DNA binding by OECD

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by DPRA Lysine peptide depletion

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Low reactive >> Activated haloarenes OR Low reactive >> N-substituted aromatic amides OR Low reactive >> ortho-quinones and ortho/para-quinone (di)imines by DPRA Lysine peptide depletion

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 16 - Oxygen O AND Group 16 - Sulfur S by Chemical elements

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Group 17 - Halogens Cl by Chemical elements

Domain logical expression index: "k"

Similarity boundary:Target: Oc1cc(S(=O)(=O)O{-}.[Na]{+})cc2cccc(S(=O)(=O)O{-}.[Na]{+})c12
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is >= -4.14

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.53

Interpretation of results:

other: Not sensitizing

Conclusions:

The chemical Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3)was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3) 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 Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The chemical Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs and can be classified under the category ˋ Not Classified’ as per CLP regulation.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not sensitising)

Additional information:

Various studieshas been investigated for the test chemicalDisodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in rabbits, guinea pigs and humans for target chemicalDisodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3)and its structurally similar read across substancesD & C Red No. 6 (CAS no: 5858-81-1)and D & C Red no. 33 (CAS no: 3567-66-6).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;

 

The skin sensitization potential of Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3)was estimated using OECD QSAR toolbox version 3.4 with log Pow as the primary descriptor. The substance Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3)was estimated to be not sensitizing to the skin of guinea pigs. Based on the estimated result Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3)failed to induce skin sanitization effects and hence is considered to be not sensitizing to guinea pigs

 

The Guin JD. (Contact Dermatitis 2003: 49: 217–218) conducted skin sensitization study forstructurally similar read across substanceD & C Red No. 6 (CAS no: 5858-81-1)to determine the allergic contact dermatitis caused by the chemical via performing patch test on human patients. The dye was applied on15patients 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.

 

The above results were further supported by the Maximization test reported by Scientific Committee on Consumer Safety (SCCS){ Opinion on Acid Red 33 ,Scientific Committee on Consumer Safety (SCCS), SCCP/1102/07} in female 15 (10 test and 5 control)Guinea pig for read across chemical D & C Red no. 33 (CAS no: 3567-66-6). The intradermal induction of sensitization in the test group was performed in the nuchal region with a 5% dilution of the test item in 1% CMC and in an emulsion of Freund's Complete Adjuvant (FCA) / physiological saline. The epidermal induction of sensitization was conducted for 18 hours under occlusion with the test item at 25% in 1% CMC one week after the intradermal induction. The test areas are pretreated with 10 sodium-laureth-sulfates (SLS) 24 hours prior to application of the test item. The animals of the control group were intradermally induced with 1% CMC and FCA/physiological saline and epidermally induced with 1% CMC under occlusion following pre-treatment with 10% SLS. Cutaneous reactions were evaluated at 24 and 48 hours after removal of the dressing. No known skin sensitization reactions were observed in treated as well as control group. Hence the chemical D& C Red no. 33 (CAS no: 3567-66-6) was considered to be not sensitizing.

Thus on the basis of available data for thetarget chemicalDisodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3)and its structurally similar read across substancesD & C Red No. 6 (CAS no: 5858-81-1)andD& C Red no. 33 (CAS no: 3567-66-6) ,it can be concluded thatchemical Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3) is unable to cause skin sensitization and considered as non-skin sensitizer.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.

 

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

The skin sensitization potential of test substance Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3)and its structurally similar read across substancesD & C Red No. 6 (CAS no: 5858-81-1)andD & C Red no. 33 (CAS no: 3567-66-6) were observed in various studies. From the results obtained from these studies it is concluded that the chemical Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No: 83732-80-3) is not likely to cause skin sensitization and hence can be classified as non-skin sensitizer.