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EC number: 229-445-0 | CAS number: 6535-70-2
- 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
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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.4 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid
- Molecular formula: C10H9NO7S2
- Molecular weight: 319.3131 g/mol
- Smiles notation: c1cc(c(c2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O)N
- InChl: 1S/C10H9NO7S2/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
- Physical state: Solid
- Substance type: Organic - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Remarks on exposure duration:
- No data available
- Post exposure observation period:
- No data available
- Hardness:
- 178mg CaCO3/L
- Test temperature:
- 23°C ± 2°C
- pH:
- 8.1
- Dissolved oxygen:
- 96 - 97%
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 134.568 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: No more data available
- Details on results:
- Based on the growth rte inhibition, the EC50 was 134.567 mg/l.
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The median Effective concentration (EC50) value for 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) in a 72 hour study was estimated to be 134.567 mg/L on the basis of effects on growth rate.
- Executive summary:
Using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid (CAS no. 6535 -70 -2). EC50 value was estimated to be 134.567 mg/l for Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 72 h duration. Based on this value it can be concluded that the substance 2-amino-5-hydroxynaphthalene -1,7-disulfonic acid is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
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" or "e" or "f" )
and "g" )
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and "o" )
)
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 Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "c"
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: "d"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group AND
Strong binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "e"
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: "f"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) AND Phenol Amines AND Phenols by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "g"
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: "h"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) AND Phenol Amines AND Phenols by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Phenols, Poly by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aromatic diazo (Genotox) OR
Structural alert for genotoxic carcinogenicity by Carcinogenicity
(genotox and nongenotox) alerts by ISS
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Known precedent reproductive and
developmental toxic potential OR Toluene and small alkyl toluene
derivatives (8a) by DART scheme v.1.0
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -4.66
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.966
Description of key information
Using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid (CAS no. 6535 -70 -2). EC50 value was estimated to be 134.567 mg/l for Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 72 h duration. Based on this value it can be concluded that the substance 2-amino-5-hydroxynaphthalene -1,7-disulfonic acid is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 134.567 mg/L
Additional information
Short term toxicity to aquatic algae:
Various predicted data for the target compound 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid (6535 -70 -2) and supporting weight of evidence studies for its closest read across substance with log Kow as the primary descriptor were reviewed for the toxicity on the algae end point which are summarized as below:
In a prediction done by SSS (2017), Using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid (CAS no. 6535 -70 -2). EC50 value was estimated to be 134.567 mg/l for Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 72 h duration. Based on this value it can be concluded that the substance 2-amino-5-hydroxynaphthalene -1,7-disulfonic acid is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
In second prediction using the Danish QSAR, 2017, Based on the prediction done using the three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database, the short term toxicity on green algae was predicted for test substance 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid (CAS: 6535 -70 -2). The average EC50 value was given by the third model i.e, Battery model. On the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance 2-amino-5-hydroxynaphthalene -1,7- disulfonic acid is estimated to be 23005 mg/l for Pseudokirchneriella subcapitata during 72 hr. exposure duration. Thus, on the basis of EC50 value, it can be concluded that the test chemical 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.
Similarly in a supporting weight of evidence study from ABITEC report 2016 for read across chemical 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid (130-23-4) toxicity experiment was conducted for evaluating the effect of read across substance. Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid according to OECD Guideline 201. The test substance was dissolved in OECD growth medium and tested at the concentrations 0, 2.2, 11, 25, 55 and 120 mg/L. Effects on the growth rate of the organism were studied. The median effective concentration (ErC50) for the test substance, 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid, in Desmodesmus subspicatus was determined to be 129.4 mg/L. Based on this ErC50 value and after comparing with CLP criteria for aquatic classification of the substance it is concluded that the substance 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid does not exhibit toxicity to aquatic algae (Desmodesmus subspicatus) and not classified as toxic as per the CLP classification criteria.
Similarly for the same read across chemical, toxicity study was conducted and reported from UERL lab, 2016, The effect of test item 4-amino-5-hydroxynaphthalene -1,7-disulphonic acid, CAS No. 130-23-4 was studied on the growth of fresh water green alga Chlorella vulgaris. The study was conducted following OECD guideline 201- Alga, growth inhibition test. The test concentration chosen for the study were 6.25mg/l, 12.5mg/l, 25mg/l, 50mg/l, 100mg/l and 200mg/l. The test concentrations were prepared using stock solution of the test item using mineral media. The green alga was exposed to the test concentration for a period of 72 hours to observe average specific growth rate and % growth inhibition under the effect of the test item. EC50 calculated graphically through probit analysis was observed to be >200mg/l. Thus, based on the EC50 value, test substance 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid can be classified as not hazardous and nontoxic as per the criteria of CLP regulation.
Similarly in a third supporting weight of evidence study from ABITEC report 2016 for read across chemical 5-amino-4-hydroxy-3-(phenylazo)naphthalene -2,7- disulphonate (3567-66-6), Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance disodium 5-amino-4-hydroxy- 3-(phenylazo)naphthalene -2,7-disulphonate according to OECD Guideline 201. The test substance was dissolved in OECD growth medium and tested at the concentrations 0, 0, 12.5, 25, 100, 200 mg/L. Effects on the growth rate of the organism were studied. The median effective concentration (ErC50) for the test substance, disodium 5-amino-4-hydroxy- 3-(phenylazo)naphthalene-2,7-disulphonate, in Desmodesmus subspicatus was determined to be 330.2 mg/L. Based on this ErC50 value and after comparing with CLP criteria for aquatic classification of the substance it is concluded that the substance disodium 5-amino-4-hydroxy-3- (phenylazo) naphthalene-2,7-disulphonate does not exhibit toxicity to aquatic algae (Desmodesmus subspicatus) and not classified as toxic as per the CLP classification criteria.
On the basis of above results for target chemical 2-amino-5-hydroxynaphthalene-1,7-disulfonic acid (6535 -70 -2) (from OECD QSAR toolbox version 3.4, and Danish QSAR, 2017) and for its read across substance from ABITEC report and UERL, it can be concluded that the test substance 2-amino-5-hydroxynaphthalene-1,7- disulfonic acid is not toxic and can be consider to be not classified as toxic as per the CLP classification criteria.
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