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EC number: 224-909-9 | CAS number: 4548-53-2
- 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
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from QSAR Toolbox version 3.3
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 406 (Skin Sensitisation)
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Type of study:
- other: Prediction is done using QSAR Toolbox version 3.3
- Species:
- human
- Strain:
- not specified
- Sex:
- not specified
- Route:
- epicutaneous, occlusive
- Vehicle:
- no data
- Concentration / amount:
- no data
- Route:
- epicutaneous, occlusive
- Vehicle:
- no data
- Concentration / amount:
- no data
- No. of animals per dose:
- 25 Subjects
- Details on study design:
- no data
- Challenge controls:
- no data
- Positive control substance(s):
- not specified
- Reading:
- 1st reading
- Hours after challenge:
- 48
- Group:
- test chemical
- No. with + reactions:
- 0
- Total no. in group:
- 25
- Clinical observations:
- not sensitising
- Remarks on result:
- other: Reading: 1st reading. . Hours after challenge: 48.0. Group: test group. No with. + reactions: 0.0. Total no. in groups: 25.0. Clinical observations: not sensitising.
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated informationCriteria used for interpretation of results: EU
- Conclusions:
- The substance Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4-hydroxynaphthalene-1-sulphonate is estimated to be not sensitizing in an in vivo test on human.
- Executive summary:
Skin sensitizing property ofDisodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4-hydroxynaphthalene-1-sulphonateis predicted using QSAR toolbox version 3.3.
The substance Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4-hydroxynaphthalene-1-sulphonate is estimated to be not sensitizing in an in vivo test on human.
Reference
The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"
Estimation method: Takes mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((("a" or "b" or "c" or "d" or "e" ) and ("f" and ( not "g") ) ) and ("h" and ( not "i") ) ) and "j" ) and ("k" and "l" ) )
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 Alkyl arenes AND Aryl AND Azo AND Fused carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by Organic Functional groups
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Alkyl arenes AND Aryl AND Azo AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups AND Phenol AND Sulfonic acid by Organic Functional groups (nested)
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Azo [-N=N-] AND Hydroxy, aromatic attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND Suflur {v+4} or {v+6} AND Sulfonate, aromatic attach [-SO2-O] by Organic functional groups (US EPA)
Domain logical expression index: "e"
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: "f"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.3
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Ester aminolysis OR Acylation >> Ester aminolysis >> Amides OR SNAr OR SNAr >> Nucleophilic aromatic substitution on activated aryl and heteroaryl compounds OR SNAr >> Nucleophilic aromatic substitution on activated aryl and heteroaryl compounds >> Activated aryl and heteroaryl compounds by Protein binding by OASIS v1.3
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Alkali Earth AND Non-Metals by Groups of elements
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Alkaline Earth OR Halogens OR Transition Metals by Groups of elements
Domain logical expression index: "j"
Similarity boundary:Target: Cc1cc(C)c(S(=O)(=O)O{-}.[Na]{+})cc1N=Nc1cc(S(=O)(=O)O{-}.[Na]{+})c2ccccc2c1O
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain logical expression index: "k"
Parametric boundary:The target chemical should have a value of log Kow which is >= -1.67
Domain logical expression index: "l"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.19
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Various peer reviewed articles were studied to determine the sensitizing potential of the test compound Ponceau SX. the summary is as below:
Skin sensitizing property of Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4-hydroxynaphthalene-1-sulphonate (CAS no 4548 -53 -2) is predicted using QSAR toolbox version 3.3, 2016. The substance Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4- hydroxynaphthalene-1-sulphonate is estimated to be not sensitizing in an in vivo test on human.
Kligman maximisation test was conducted (Directorate-General Environment, Consumer Protection and Nuclear Safety, 1988) on chemical FD and C Red 4 (RA CAS no 2783 -94 -0). 25 healthy adults were exposed to concentration up to 0.3% (0.3 gm) in petrolatum and applied under occlusion for 48-hrs was negative. Hence,Non-sensitising effects were known inKligman maximisation test of chemical FD and C Red 4 exposed to 25 human adults for 48-hrs.
A historic in house database of guinea pig maximization test (GPMT) result has been analyzed by Cronin et al, 1994 for potential (qualitative) structure activity relationships to predict the skin sensitization potential of the test compound FD&C Red No. 4 (CAS no 4548 -53 -2). Guinea pig sensitization test results for 259 diverse organic compounds have been determined according to standard procedures. In the data set 16 results classified as strong sensitizers were included from the modified single injection adjuvant test (MSIAT), although this is not a maximization test strong sensitizers in this assay were assumed to be strong sensitizers in the GPMT procedure. From the scores obtained in the GPMT, chemicals may be classified qualitatively into one of four groups, i.e. non, weak, moderate or strong sensitizers. Principal component analysis (PCA) was performed using the MINITAB statistical software on the physicochemical data set excluding ClogP. Stepwise linear discriminant analysis was performed using the BMDP statistical software package (program P7M). This utilized the sensitizer and non sensitizer classification and the physicochemical descriptors. Multivariate QSAR analysis of a skin sensitization suggests the test compound FD&C Red No. 4 to be a moderate skin sensitizer.
Based on the studies reviewed, it can be concluded that the test material FD and C Red 4 is not a skin sensitizer.
Migrated from Short description of key information:
The substance Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4- hydroxynaphthalene-1-sulphonate is estimated to be not sensitizing in an in vivo test on human.
Justification for selection of skin sensitisation endpoint:
The test material FD and C red 4 does not classify as a skin sensitizer.
Justification for classification or non-classification
Skin sensitization:
Based on the weight of evidence used and as per the CLP classification, the test material FD and C red 4 does not classify as a skin sensitizer.
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