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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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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.3.3 and QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: predicted data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): METANIL YELLOW (Sodium 3-(p-anilinophenylazo)benzenesulphonate)
- Molecular formula (if other than submission substance): C18 H14 N3 O3 S1 Na1
- Molecular weight (if other than submission substance): 375.38 mg/l
- Smiles notation (if other than submission substance): c1ccc(cc1)Nc2ccc(cc2)N=Nc3cccc(c3)S(=O)(=O)O([Na])
- InChl (if other than submission substance): NYGZLYXAPMMJTE-ANVLNOONSA-M
- Substance type: Organic
- Physical state: Solid - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 6.55 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Sodium 3-(p-anilinophenylazo)benzenesulphonate (Cas no. 587-98-4). Effect concentration i.e EC50 value was estimated to be 6.55 mg/l for Desmodesmus subspicatus for 72 hrs duration. It was concluded that the Sodium 3-(p-anilinophenylazo)benzenesulphonate (Cas no. 587-98-4) was likely to be toxic to aquatic invertebrates, hence it can be considered to be classified as per the CLP classification criteria for aquatic environment.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Sodium 3-(p-anilinophenylazo)benzenesulphonate (Cas no. 587-98-4). Effect concentration i.e EC50 value was estimated to be 6.55 mg/l for Desmodesmus subspicatus for 72 hrs duration. It was concluded that the Sodium 3-(p-anilinophenylazo)benzenesulphonate (Cas no. 587-98-4) was likely to be toxic to aquatic invertebrates, hence it can be considered to be classified as per the CLP classification criteria for aquatic environment.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((("a"
or "b" )
and "c" )
and "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 Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "d"
Similarity
boundary:Target:
O=S(=O)(c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1)O{-}.[Na]{+}
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "e"
Similarity
boundary:Target:
O=S(=O)(c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1)O{-}.[Na]{+}
Threshold=20%,
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 >= 0.137
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.84
Description of key information
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the 5 closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS 587 -98 -4). Effect concentration i.e EC50 value was estimated to be 6.55 mg/l for Daphnia magna for 48 hrs duration. Based on the effect value, Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS 587 -98 -4) was likely to be toxic to aquatic invertebrates, hence it can be considered to be“aquatic chronic 2”as per the CLP classification criteria for aquatic environment.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 6.55 mg/L
Additional information
Four studies including predicted data from validated tools and experimental data from peer reviewed journal and authorative database for short term aquatic invertebrate’s endpoint of test chemical Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS 587 -98 -4) with relevant read across which is close to target using log Kow as primary descriptor were summarised as follows:
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the 5 closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS 587 -98 -4). Effect concentration i.e EC50 value was estimated to be 6.55 mg/l for Daphnia magna for 48 hrs duration. Based on the effect value, Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS 587 -98 -4) was likely to be toxic to aquatic invertebrates.
Similar prediction by Using battery model of Danish QSAR, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest the LC50 value for short term toxicity to aquatic invertebrates was predictedthe toxicity of Sodium 3-(p-anilinophenylazo)benzenesulphonate EC50 estimated to be 2.52 mg/l to Daphnia magna when exposed for 48h.
Above both predicted results of target assist by experimental result of read across chemical Fluometuron (Cas no.2164-17-2) fromsecondary source EPA Office of Pesticides Program Database which suggest the Short-term toxicity to aquatic invertebrates test was carried out to study the effects of Fluometuron on Americamysis bahia under flow through and saltwater conditions. Mortality effect were measured. The Lethal concentration (LC50) for Americamysis bahia when exposed to Fluometuron for 96 h is 6.8 mg/l.
Thus based on the all available effect concentrations which is in the range of 2.52 mg/l to 6.8 mg/l for target and read across chemicals and by applying weight of evidence approach it can be concluded that test substance Sodium 3-(p-anilinophenylazo)benzenesulphonate (Cas No. 587 -98 -4) is toxic to aquatic invertebrates, hence it can be considered classified under Aquatic chronic category 2 as per the CLP regulation.
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