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EC number: 209-608-2 | CAS number: 587-98-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
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
- 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.
Reference
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
- 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
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
Acute toxicity: via dermal route
Link to relevant study records
- 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
- 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.
Reference
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
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.
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