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EC number: 228-406-5 | CAS number: 6259-53-6
- 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:
- QMRF report has been attached.
- Guideline:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 3.4.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid
- Molecular formula: C11H11NO4S
- Molecular weight: 253.2769 g/mol
- Smiles notation: CNc1ccc2cc(cc(c2c1)O)S(=O)(=O)O
- InChl: 1S/C11H11NO4S/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8/h2-6,12-13H,1H3,(H,14,15,16)
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- Details on sampling:
- No data available
- Vehicle:
- not specified
- Details on test solutions:
- No data available
- Test organisms (species):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Hardness:
- No data available
- Test temperature:
- 24 °C ±2°C.
- pH:
- 6.7 to 7.4
- Dissolved oxygen:
- No data available
- Salinity:
- No data available
- Conductivity:
- No data available
- Nominal and measured concentrations:
- Estimated data
- Details on test conditions:
- No data available
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 135.52 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- not specified
- Basis for effect:
- growth rate
- Remarks on result:
- other: Other details not known
- Details on results:
- The EC50 was 135.520 mg/l based on the growth rate inhibition
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Based on the growth rate inhibition of algae, the EC50 value was estimated to be 135.52 mg/l when 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acid exposed to Desmodesmus subspicatus for 72hrs.
- 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 six closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) was predicted for 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6). Based on the growth rate inhibition of algae, the EC50 value was estimated to be 135.52 mg/l when 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acid exposed to Desmodesmus subspicatus for 72hrs.
Based on this value it can be concluded that the substance 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acid (6259-53-6) is considered to be not toxic to aquatic environment as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and "k" )
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and "r" )
and ("s"
and (
not "t")
)
)
and ("u"
and "v" )
)
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 >> Secondary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Strong binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "c"
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 AND AN2 >>
Michael-type addition to quinoid structures >> Substituted Phenols by
Protein binding by OASIS v1.4
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Phenols by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinones and Trihydroxybenzenes OR AN2 >> Shiff base
formation after aldehyde release OR AN2 >> Shiff base formation after
aldehyde release >> Specific Acetate Esters OR Non-covalent interaction
OR Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
and Aminoalkylamine Side Chain OR Non-covalent interaction >> DNA
intercalation >> Fused-Ring Primary Aromatic Amines OR Non-covalent
interaction >> DNA intercalation >> Quinones and Trihydroxybenzenes 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) >> Nitroaniline Derivatives OR Radical >> Radical
mechanism via ROS formation (indirect) >> Nitrophenols, Nitrophenyl
Ethers and Nitrobenzoic Acids OR Radical >> Radical mechanism via ROS
formation (indirect) >> Quinones and Trihydroxybenzenes OR Radical >>
Radical mechanism via ROS formation (indirect) >> Single-Ring
Substituted Primary Aromatic Amines OR SN1 OR SN1 >> Nucleophilic attack
after carbenium ion formation OR SN1 >> Nucleophilic attack after
carbenium ion formation >> Specific Acetate Esters 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
nitrenium ion formation OR SN1 >> Nucleophilic attack after nitrenium
ion formation >> Single-Ring Substituted Primary Aromatic Amines OR SN1
>> Nucleophilic attack after reduction and nitrenium ion formation OR
SN1 >> Nucleophilic attack after reduction and nitrenium ion formation
>> Nitroaniline Derivatives OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation >> Nitrophenols, Nitrophenyl
Ethers and Nitrobenzoic Acids OR SN2 OR SN2 >> Acylation OR SN2 >>
Acylation >> Specific Acetate Esters OR SN2 >> Nucleophilic substitution
at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon
atom >> Specific Acetate Esters by DNA binding by OASIS v.1.4
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Strong binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Strong binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Phenols by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Hydrazines OR Neutral Organics
by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Phenols by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Vinyl/Allyl Ketones by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Phenols by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Vinyl/Allyl Ethers by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aryl AND
Fused carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid
by Organic Functional groups
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Alkyl arenes by Organic
Functional groups
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.22
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.88
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 six closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) was predicted for 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6). Based on the growth rate inhibition of algae, the EC50 value was estimated to be 135.52 mg/l when 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acid exposed to Desmodesmus subspicatus for 72hrs.
Based on this value it can be concluded that the substance 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acid (6259-53-6) is considered to be not toxic to aquatic environment as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 135.52 mg/L
Additional information
Various predicted data for the target compound 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6) and supporting weight of evidence studies for its closest read across substance with structural similarity and log Kow as the primary descriptor were reviewed for the toxicity on the aquatic algae and cyanobacteria end point which are summarized as below:
In a prediction done by SSS (2017), based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) was predicted for 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6). Based on the growth rate inhibition of algae, the EC50 value was estimated to be 135.52 mg/l when 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acid exposed to Desmodesmus subspicatus for 72hrs. Based on this value it can be concluded that the substance 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acid (6259-53-6) is considered to be not toxic to aquatic environment as per the criteria mentioned in CLP regulation.
Similarly in the second predicted report from Danish QSAR database, for the toxicity to algae was used 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 4-hydroxy-6-(methylamino) naphthalene -2-sulfonic acid (CAS: 6291 -53 -6). 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 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acid is estimated to be 2698.016 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 4-hydroxy- 6-(methylamino) naphthalene -2-sulfonic 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.
Further weight of evidence studies for the read across chemicals supports the above predicted study for the target chemical. By considering data for 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 on algae 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.
Study in the study for the read across chemical (98-37-3) from Water Research Pergamon Press 1968, Short term toxicity to Chlorella pyrenoidosa (green algae) study was carried out for 72 hrs. Emerson strain of bacteria free, experimentally reproducible cultures of Chlorella pyrenoidosa was used as a test organism. The procedure involve the use of test tubes in both the screening and final tests. These test tubes contained 15 ml of inorganic culture medium, a predetermined amount of test chemical and 5 ml of algal culture. The tubes were incubated for 72 hrs andchlorophyll content of the algal suspensions was measured every 24 hrs. For chlorophyll measurement, the chlorophyll pigment was extracted with hot methanol in two separate extractions. An algal suspension, 2.5 ml, was removed from the test tube, centrifuged, washed with distilled water, and recentrifuged in preparation of chlorophyll analysis. After discarding the supernatant, the deposited cell material was coagulated by placing the cells in a boiling water bath for about 40 sec. About 2.5 ml of methanol were used in each extraction. Finally, the chlorophyll solution was diluted to a total volume of 10 ml with an acetone-water mixture (80 per cent by volume). A Beckman Spectrophotometer, Model DB, was used to measure the chlorophyll content according to MACKIN~v (1941) and ARNON (1949). For this a wavelength of 652 m/z was used because different proportions of chlorophyll a and b least affect the results at this wavelength. Control tubes containing no test chemical was also used in the experiment. Knop's solution, including the Hutner-EDTA microelement addition, was used as the culture medium.pH of culture medium was adjusted to 7.0 using KOH before use. The test organism was maintained under steady-state conditions, provided a chlorophyll content of 38 mg/l. Environmental control was rigidly maintained. The temp. of water bath was 25 ± 1°C. The test apparatus consisted of a constant-temperature water bath, a light source containing four 200W fluorescent lamps with attached aluminum reflectors, a gas manifold to supply an air-CO2 mixture to each test tube, and a rack to hold the test tubes. A stream of 5 % CO2 in air gas mixture was supplied to culture medium in order to provide the inorganic carbon source and also to keep the algal ceils in suspension. Based on destruction of chlorophyll of test organism by test chemical Amino-1-phenol-4-sulfonic acid, the LOEC value was determine to be1500 mg/l and as no toxic effect at 1000 mg/l was observed, the NOEC value was determine to be 1000 mg/l. Thus, based on this value, it can be concluded that the substance can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.
Similarly for the another read across chemical D & C Red no. 7 (5281-04-9) from HPVIS and SIDS report, Detection of the effect of D & C Red no. 7 on the growth of Selenastrum capricornutum ATCC 22662 was done by following standard 202 OECD guideline. The test was performed in static system by following the OECD guideline. Selenastrum capricornutum ATCC 22662 exposed with the chemical for 72hrs. Based on the biomass inhibition of Selenastrum capricornutum ATCC 22662 by the chemical 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (D & C Red no. 7) for 72hrs, the NOEC was 5.8 mg/l, and the EC50 was 190 mg/l. Based on the EC50 value it was concluded that the chemical D & C Red no 7 was nontoxic and can be consider to be not classified as toxic as per the CLP classification criteria.
On the basis of above results for target 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6) (from OECD QSAR toolbox version 3.4 and Danish QSAR) and for its read across substance from ABITEC report, UERL report, peer reviewed journal Water Research Pergamon Press 1968 and HPVIS, SIDS report, it can be concluded that the test substance 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6) was not toxic to algae and can be consider to be not classified as toxic as per the CLP classification criteria.
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