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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
The acute oral LD50 value of substance FD&C Red No. 4 is considered to be >2000 mg/kg in rat.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- other: Prediction is done using QSAR Toolbox version 3.3
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Test type:
- other: Predicted data
- Species:
- rat
- Strain:
- not specified
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- no data
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Doses:
- 4952.15 mg/kg
- No. of animals per sex per dose:
- 5 male and 5 female
- Control animals:
- not specified
- Details on study design:
- no data
- Statistics:
- no data
- Preliminary study:
- no data
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 4 952.152 mg/kg bw
- Based on:
- test mat.
- Mortality:
- no data
- Clinical signs:
- other: no data
- Gross pathology:
- no data
- Other findings:
- no data
- Interpretation of results:
- practically nontoxic
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The acute median lethal dose (LD50) value of Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4-hydroxynaphthalene-1-sulphonate in rat is estimated to be 4952.15 mg/kg bw. This value indicates that the substance is not expected to exhibit acute toxicity by oral route as per the CLP criteria.
- Executive summary:
The acute median lethal dose (LD50) value of Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4-hydroxynaphthalene-1-sulphonate in rat is estimated to be 4952.15 mg/kg bw. This value indicates that the substance is not expected to exhibit acute toxicity by oral route as per the CLP criteria.
Reference
The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 5 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" 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 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 DNA binding by OASIS v.1.3
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Non-covalent interaction OR Non-covalent interaction >> DNA intercalation OR Non-covalent interaction >> DNA intercalation >> DNA Intercalators with Carboxamide Side Chain OR Non-covalent interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines OR Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Fused-Ring Primary Aromatic Amines OR Radical >> Radical mechanism via ROS formation (indirect) >> Nitro Azoarenes OR SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> Nitro Azoarenes by DNA binding by OASIS v.1.3
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.3
Domain logical expression index: "i"
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: "j"
Referential boundary: The target chemical should be classified as No superfragment by Superfragments ONLY
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis ONLY
Domain logical expression index: "l"
Parametric boundary:The target chemical should have a value of log Kow which is >= -1.18
Domain logical expression index: "m"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.12
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 4 952.15 mg/kg bw
Additional information
Acute oral toxicity:
Various studies and prediction model based data was used to determine the acute oral toxic nature of the test compound Ponceau SX (CAS no 4548 -53 -2). The studies are summarized as below:
The acute median lethal dose (LD50) value of Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4-hydroxynaphthalene-1-sulphonate in rat is estimated to be 4952.15 mg/kg bw by SSS QSAR, 2016. This value indicates that the substance is not expected to exhibit acute toxicity by oral route as per the CLP criteria.
Acute oral toxicity study was conducted on rats to evaluate the toxic nature of the test compound Ponceau Sx. The acute oral LD50 value of substance FD&C Red No. 4 is considered to be >2000 mg/kg in rat (Maryadele, 2006).
Acute oral toxicity test was conducted by Gaunt et al, 1967 on Carworth Farm E strain 5 male and 5 female rat exposed by chemicalCarmoisine orally by stomach tube.Aqueous solutions of Carmoisine (RA CAS no 3567 -69 -9) were administered in single doses by stomach tube at dosage volumes of 10 ml/kg.Observations of toxic signs and deaths were made for 7 days after dosage,In both sexes of rats oral doses of up to and 10,000 mg/kg in rats were tolerated without lethal effect. Hence, LD50 value was observed to be >10,000 mg/kg in acute oral toxicity test of chemical Carmoisine exposed to rat orally by stomach tube.
Similar study on mice revelaed LD50 value to be >8000 mg/kg when the chemical Carmoisine (RA CAS no 3567 -69 -9) wasexposed toICI Alderley Park strain of 5 male and 5 femalemice orally by stomach tube.
Acute oral toxicity test by Lamia et al, 2016 has been performed to study the lethal dose of chemical carmoisine (RA CAS no 3567 -69 -9). 72-male Sprague- Dawley white mice were exposed to chemical carmoisine with dose concentration of 1250 mg/kg, 2500 mg/kg, 3750 mg/kg, 5000 mg/kg, 6250 mg/kg to 6 animals per dose by oral route. Control animals received distilled water only. The mice were observed for 3 days for the signs and symptoms of toxicity as well as the death rate of each group were recorded. In the animals that received different doses of the carmoisine dye ranging from (1250 to 6250 mg/Kg) administered orally in a single dose by stomach tube, the signs of loss of appetite drowsiness, tachycardia, decrease in locomotion & anorexia was distinctive signs observed on the mice before dead. The LD50 value was found to be 4166.66 mg/kg bw.
Acute oral toxicity study was performed to evaluate the oral toxic nature of the test compound C.I. Direct Blue 8 (RA CAS no 2429 -71 -2). The test compound 3, 3'-[(3, 3' -Dimethoxy-4,4'-biphenylene )-bis- (azo )7bis[4-hydroxy-1-naphthalenesulfonic acid disodium salt has an acute oral median lethal dose (LD50) of >3200 mg/Kg bw. In another study, The test compound 3, 3'-[(3, 3' -Dimethoxy-4,4'-biphenylene )-bis- (azo )7bis[4-hydroxy-1-naphthalenesulfonic acid disodium salt had an acute oral median lethal dose (LD50) of >3200 mg/Kg bw in mice.
Based on the weight of evidence data and as per the CLP classification, the test material does not classify as an acute oral toxicant.
Justification for selection of acute toxicity – oral endpoint
The acute median lethal dose (LD50) value of Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4-hydroxynaphthalene-1-sulphonate in rat is estimated to be 4952.15 mg/kg bw. This value indicates that the substance is not expected to exhibit acute toxicity by oral route as per the CLP criteria.
Justification for classification or non-classification
Acute oral toxicity:
Based on the weight of evidence considered and the other available data, the test material FD and C red no 4 does not classify as an acute oral toxicant.
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