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EC number: 201-989-3 | CAS number: 90-40-4
- 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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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.3.4 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 3.4 with log kow as the primary discriptors.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of the test material: 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid
- IUPAC name: 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid
- Molecular formula: C10H9NO7S2
- Molecular weight: 319.3131 g/mol
- Substance type: Organic
- Smiles: c1c2cc(c(cc2c(cc1S(=O)(=O)O)O)N)S(=O)(=O)O
- Physical state: Solid (Light grey, to, Off-white) powder - Analytical monitoring:
- no
- Vehicle:
- no
- Test organisms (species):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 72 h
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 137.58 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: not toxic
- Conclusions:
- Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on algae was predicted for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4). Effect concentration i.e EC50 value was estimated to be 137.58 mg/l for Desmodesmus subspicatus for 72 hrs duration. It can be concluded that 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) was likely to be not-toxic to aquatic algae, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on algae was predicted for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4). Effect concentration i.e EC50 value was estimated to be 137.58 mg/l for Desmodesmus subspicatus for 72 hrs duration. It can be concluded that the -amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) was likely to be not-toxic to aquatic algae, hence it can be considered to be“not 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" or "c" or "d" )
and "e" )
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and "j" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction AND
Non-covalent interaction >> DNA intercalation AND Non-covalent
interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines
AND Radical AND Radical >> Radical mechanism via ROS formation
(indirect) AND Radical >> Radical mechanism via ROS formation (indirect)
>> Fused-Ring Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Fused-Ring Primary
Aromatic Amines by DNA binding by OASIS v.1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group OR
Strong binder, OH group by Estrogen Receptor Binding ONLY
Domain
logical expression index: "d"
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 >> Substituted Anilines by Protein binding by OASIS
v1.4
Domain
logical expression index: "e"
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: "f"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Benzene/ Naphthalene sulfonic
acids (Less susceptible) Rank C by Repeated dose (HESS)
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Anilines (Hemolytic anemia with
methemoglobinemia) Rank A by Repeated dose (HESS)
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.21
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.294
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on algae was predicted for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4). Effect concentration i.e EC50 value was estimated to be 137.58 mg/l for Desmodesmus subspicatus for 72 hrs duration. It can be concluded that the -amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) was likely to be not-toxic to aquatic algae, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 137.58 mg/L
Additional information
Following four studies for the target chemical and read across chemical includes predicted data from the OECD QSAR toolbox and experimental data to conclude the 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4 ) toxicity extent towards the aquatic algae are summarized as below:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on algae was predicted for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4). Effect concentration i.e EC50 value was estimated to be 137.58 mg/l for Desmodesmus subspicatus for 72 hrs duration. It can be concluded that the -amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) was likely to be not-toxic to aquatic algae, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.
Similar predicted study is done by Using three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database, the effective concentration (EC50) at 72 hrs for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) in Pseudokirchneriella s. is estimated to be 16789.04 mg/L. On the basis of the estimated value it can be concluded that the 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4) is not toxic toxic to the aquatic environment.
The above predicted study is supported by the experimental data of read across 3-amino-4-hydroxybenzenesulphonic acid (CAS:98 -37 -3) from Water Reseach 1968, suggests that the No observable effect concentration NOEC to Chlorella pyrenoidosa at 72 hr is 1000 mg/l for 3-amino-4-hydroxybenzenesulphonic acid. It can be concluded for the value it can be concluded that the 3-amino-4-hydroxybenzenesulphonic acid is not toxic to the aquatic environment and can be considered as “not classified” as per CLP regulation.
Another experimental data for read across 4-aminobenzoic acid (CAS: 150 -13 -0) from Journal of Hazardous Materials 2009, indicates that the
Toxicity to aquatic algae and cyanobacteria test was carried out for 48 Hour(s) to study the effect of 4-aminobenzoic acid on aquatic environment at temp 24 C and pH 6.5.
The Effective concentration EC50 to 50% of Pseudokirchneriella subcapitata for 4-aminobenzoic acid at 48 h is 199.9 mg/L. Decreasing Growth rate was measured as effect. It can be concluded from the value that the 4-aminobenzoic acid is not toxic to the aquatic environment and can be considered as “not classified’ as per CLP regulation.
Thus based on the effect concentrations which is in the range 137.58 mg/l to16789.04 mg/lgive the conclusion that test substance3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS: 90-40-4)was likely to be non-toxic to aquatic algae at environmentally relevant concentrations and can be considered to be “not classified” as per the CLP classification criteria.
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