Sodium 3-(p-anilinophenylazo)benzenesulphonate

Endpoint summary

Description of key information

Acute toxicity: oral
The acute oral LD50 value of the test substance sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (Acid Yellow 36) is determined to be 5000 mg/kg for rats.

Acid toxicity: inhalation
The study need not be conducted because exposure of humans via inhalation is not likely taking into account the vapour pressure of the substance and/or the possibility of exposure to aerosols, particles or droplets of an inhalable size.

Acute toxicity: dermal
The acute dermal median lethal dose (LD50) value of sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate in rabbit was estimated to be 8331.25 mg/kg of body weight, by QSAR toolbox.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Data is from ChemIDplus database

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Acute oral LD50 value determination of substance sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (Acid Yellow 36).

GLP compliance:

not specified

Test type:

other: not specified

Specific details on test material used for the study:

- Name of test material : sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
- Molecular formula : C18H14N3O3S.Na
- Molecular weight: 375.383 g/mol
- Smiles notation : c1(Nc2ccccc2)ccc(\N=N\c2cc(ccc2)S(=O)(=O)[O-])cc1.[Na+]
- InChl : 1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1/b21-20+;
- Substance type: Organic
- Physical state: Solid

Species:

rat

Strain:

not specified

Sex:

not specified

Details on test animals or test system and environmental conditions:

not specified

Route of administration:

oral: unspecified

Vehicle:

not specified

Details on oral exposure:

not specified

Doses:

not specified

No. of animals per sex per dose:

not specified

Control animals:

not specified

Details on study design:

not specified

Statistics:

not specified

Key result

Sex:

not specified

Dose descriptor:

LD50

Effect level:

5 000 mg/kg bw

Based on:

test mat.

Remarks on result:

other: other details not available

Mortality:

not specified

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

Interpretation of results:

other: not classified

Conclusions:

The acute oral LD50 value of the test substance sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (Acid Yellow 36) is determined to be 5000 mg/kg for rats.

Executive summary:

The acute oral LD50 value of the test substancesodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (Acid Yellow 36) is determined to be 5000 mg/kg for rats. This value indicates that the test substance in not toxic to rat and thus can be considered as Not classified under Acute toxicity via oral route as per CLP classification criteria.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

5 000 mg/kg bw

Quality of whole database:

Data is of K2 reliability and is from authoritative database.

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

Data waiving:

other justification

Justification for data waiving:

the study does not need to be conducted because exposure of humans via inhalation is not likely taking into account the vapour pressure of the substance and/or the possibility of exposure to aerosols, particles or droplets of an inhalable size

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

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 predicted by OECD QSAR Toolbox version 3.4. The supporting QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Data is predicted by OECD QSAR Toolbox version 3.4.

GLP compliance:

not specified

Test type:

other: Estimated

Specific details on test material used for the study:

- Name of test material : sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
- Molecular formula : C18H14N3O3S.Na
- Molecular weight: 375.383 g/mol
- Smiles notation : c1(Nc2ccccc2)ccc(\N=N\c2cc(ccc2)S(=O)(=O)[O-])cc1.[Na+]
- InChl : 1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1/b21-20+;
- Substance type: Organic
- Physical state: Solid

Species:

rabbit

Strain:

not specified

Sex:

not specified

Type of coverage:

not specified

Vehicle:

not specified

Details on dermal exposure:

not specified

Duration of exposure:

not specified

Doses:

not specified

No. of animals per sex per dose:

not specified

Control animals:

not specified

Details on study design:

not specified

Statistics:

not specified

Key result

Sex:

not specified

Dose descriptor:

LD50

Effect level:

8 331.253 mg/kg bw

Based on:

test mat.

Mortality:

not specified

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion formation AND SN1 >> Nitrenium Ion formation >> Aromatic azo by DNA binding by OECD

Domain logical expression index: "b"

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  >> N-Substituted Aromatic Amines by Protein binding by OASIS v1.4

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OASIS v.1.4

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Non-specific OR Non-specific >> Incorporation into DNA/RNA, due to structural analogy with  nucleoside bases    OR Non-specific >> Incorporation into DNA/RNA, due to structural analogy with  nucleoside bases    >> Specific Imine and Thione Derivatives OR Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Specific Imine and Thione Derivatives OR SN1 OR SN1 >> Nucleophilic substitution on diazonium ion OR SN1 >> Nucleophilic substitution on diazonium ion >> Specific Imine and Thione Derivatives by DNA binding by OASIS v.1.4

Domain logical expression index: "e"

Similarity boundary:Target: O=S(=O)(c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1)O{-}.[Na]{+}
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.557

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 6.31

Interpretation of results:

not classified

Remarks:

Migrated information

Conclusions:

The acute dermal median lethal dose (LD50) value of sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate in rabbit was estimated to be 8331.25 mg/kg of body weight, by QSAR toolbox,

Executive summary:

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate. The acute dermal median lethal dose (LD50) value of sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate in rabbit was estimated to be 8331.25 mg/kg of body weight. This value indicates that the substance is not toxic to rabbit and hance can be considered as Not classified under Acute toxicity via dermal route as per CLP classification criteria.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

8 331.25 mg/kg bw

Quality of whole database:

Data is of K2 reliability and is from QSAR prediction database.

Additional information

Acute toxicity: oral
In different studies sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (CAS 587-98-4) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experimental data in rodents, i.e. most commonly in rats. The data for one of its structurally similar substance has also been compared with the experimental studies.

Data from authoritative chemIDplus database, 2017, indicates the acute oral LD50 value of the test substance sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (Acid Yellow 36) is determined to be 5000 mg/kg for rats. This value indicates that the test substance in not toxic to rat and thus can be considered as Not classified under Acute toxicity via oral route as per CLP classification criteria.

Supporting above data two more LD50 values to rat for the target substance were cited in Report of Scientific Committee on Cosmetology; Seventh series; 1988 by Commission of European Communities. These acute oral LD50 value of the test substance sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (Acid Yellow 36) were determined as 5300 mg/kg and 4200 mg/kg for rats.

Also it is further supported by study conducted by BASF Aktiengesellschaft Gewerbehygiene und Toxikologie, 6700 Ludwigshafen, 2015 (Sustainability Support Services (Europe) AB has the letter of access), for structurally related substance 1-phenylazo-2-naphthol (CAS No. 842-07-9; 50-60% similar). It indicates that in an acute oral toxicity study, rats were treated with 1-phenylazo-2-naphthol (Sudanorange R) in the concentration of 10000 mg/kg bw as a 5-35% suspension in 0.5% aqueous CMC preparation orally by gavage and observed for 14 days. No mortality was observed in treated rat at 10000 mg/kg bw and skin, feces and urine orange discolored were observed in treated rats. Therefore, LD50 was considered to be > 10000 mg/kg bw when rats were treated with 1-phenylazo-2-naphthol (Sudanorange R) as a 5-35% suspension in 0.5% aqueous CMC preparation orally by gavage. 

Thus, based on the above studies sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (CAS No. 587-98-4) and its read across substance, it can be concluded that LD50 value is >2000.0 mg/kg bw by oral route. Thus, comparing this value with the criteria of CLP and by applying weight of evidence approach sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate is considered as “Not classified” for acute oral toxicity.

Acid toxicity: inhalation
The study need not be conducted because exposure of humans via inhalation is not likely taking into account the vapour pressure of the substance and/or the possibility of exposure to aerosols, particles or droplets of an inhalable size.

Acute toxicity: dermal
Predicted data for the target substance sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (CAS No. 587-98-4) and experimental data for its read across substance were reviewed for the acute dermal toxicity endpoints and are presented here as weight of evidence approach for classifying the target substance:

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate. The acute dermal median lethal dose (LD50) value of sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate in rabbit was estimated to be 8331.25 mg/kg of body weight. This value indicates that the substance is not toxic to rabbit and hance can be considered as Not classified under Acute toxicity via dermal route as per CLP classification criteria.

Above prediction is supported by experimental study given by Gunda Reddy and Dale A. Mayhew (International Journal of Toxicology Vol 15, Issue 1_suppl, pp. S43 - S44, 1996) on structurally similar substance Solvent Red 1 (1-[(2-methoxy phenyl)diazenyl]-2-naphthol) (CAS No. 1229-55-6), in which  New Zealand White male and female rabbits were treated with substance in the concentration of 5000 mg/kg bw in physiological saline applied on dorsal and lateral trunk (approximately 10% of the body surface area) of each animal was clipped free of hair with Oster electric clippers equipped with a number 40 (surgical) blade for 24 hours. No mortality was observed in treated rabbits. Red stain on teat site, feet and head discolored red in treated male and female rabbits. Few stools and loose stool were observed in treated male rabbits. Gained overall body weight was observed in treated male and female rabbits. Red discoloration of treated skin, red discoloration of fur, a liver with a dark red discoloration, and 2 lungs with red discoloration was observed in treated male and female rabbits. Therefore, LD50 was considered to be > 2000 mg/kg bw when New Zealand White male and female rabbits were treated with Solvent Red 1 (1-[(2-methoxyphenyl)diazenyl]-2-naphthol) by dermal application for 24 hours.

Thus, based on the above prediction for sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (CAS No. 587-98-4) and its read across substance, it can be concluded that LD50 value is >2000.0 mg/kg bw by dermal route. Thus, comparing this value with the criteria of CLP and by applying weight of evidence approach sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate is considered as “Not classified” for acute dermal toxicity.

Justification for classification or non-classification

Based on the data for target sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate (CAS No. 587-98-4) and its read across substance, it can be concluded that LD50 value is >2000.0 mg/kg bw by oral and dermal route. Thus, comparing this value with the criteria of CLP and by applying weight of evidence approach sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate is considered as “Not classified” for acute oral as well as dermal toxicity.