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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
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:
- QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- 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
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- - Common name: Water flea
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Post exposure observation period:
- No data available
- Hardness:
- No data available
- Test temperature:
- No data available
- pH:
- No data available
- 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:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 308.738 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- not specified
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: Other details not known
- Details on results:
- The EC50 was 308.738 mg/l
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 was estimated to be 308.738 mg/l based on the intoxication of daphnia magna due to the exposure with chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid.
- 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 daphnia magna was predicted for4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6). Based on the intoxication of test organism the EC50 value was estimated to be 308.738 mg/l when 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acidis considered to be not toxic to aquatic environment and not classified 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 ("j"
and (
not "k")
)
)
and "l" )
and "m" )
and ("n"
and "o" )
)
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 on alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Michael-type addition on alpha, beta-unsaturated carbonyl compounds >>
Four- and Five-Membered Lactones OR AN2 >> Schiff base formation by
aldehyde formed after metabolic activation OR AN2 >> Schiff base
formation by aldehyde formed after metabolic activation >> Geminal
Polyhaloalkane Derivatives 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 Radical OR Radical >> Radical mechanism via ROS formation
(indirect) OR Radical >> Radical mechanism via ROS formation (indirect)
>> Geminal Polyhaloalkane Derivatives OR Radical >> Radical mechanism
via ROS formation (indirect) >> Nitroarenes with Other Active Groups OR
SN1 OR SN1 >> Nucleophilic attack after diazonium or carbenium ion
formation OR SN1 >> Nucleophilic attack after diazonium or carbenium ion
formation >> Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic
attack after reduction and nitrenium ion formation OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
Nitroarenes with Other Active Groups OR SN2 OR SN2 >> Acylation
involving a leaving group after metabolic activation OR SN2 >> Acylation
involving a leaving group after metabolic activation >> Geminal
Polyhaloalkane Derivatives OR SN2 >> Alkylation, ring opening SN2
reaction OR SN2 >> Alkylation, ring opening SN2 reaction >> Four- and
Five-Membered Lactones OR SN2 >> Direct acting epoxides formed after
metabolic activation OR SN2 >> Direct acting epoxides formed after
metabolic activation >> Quinoline Derivatives OR SN2 >> Nucleophilic
substitution at sp3 carbon atom after thiol (glutathione) conjugation OR
SN2 >> Nucleophilic substitution at sp3 carbon atom after thiol
(glutathione) conjugation >> Geminal Polyhaloalkane Derivatives OR SN2
>> SN2 at an activated carbon atom OR SN2 >> SN2 at an activated carbon
atom >> Quinoline Derivatives OR SN2 >> SN2 attack on activated carbon
Csp3 or Csp2 OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2 >>
Nitroarenes with Other Active Groups by DNA binding by OASIS v.1.4
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates OR Acylation >> Ring Opening
Acylation OR Acylation >> Ring Opening Acylation >> alpha-Lactams OR SN2
OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3
carbon atom >> alpha-Halocarbonyls OR SNAr OR SNAr >> Nucleophilic
aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >>
Activated halo-benzenes by Protein binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as High (Class III) AND Low (Class
I) by Toxic hazard classification by Cramer (original) ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No Data by Ultimate biodeg
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as > 100 days OR 1 to 10 days by
Ultimate biodeg
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "m"
Similarity
boundary:Target:
CNc1ccc2cc(S(O)(=O)=O)cc(O)c2c1
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.93
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.39
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 daphnia magna was predicted for 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6). Based on the intoxication of test organism the EC50 value was estimated to be 308.738 mg/l when 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acidis considered to be not toxic to aquatic environment and not classified as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 308.73 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 invertebrates 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 daphnia magna was predicted for 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6). Based on the intoxication of test organism the EC50 value was estimated to be 308.738 mg/l when 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 4-hydroxy-6-(methylamino) naphthalene-2-sulfonic acidis considered to be not toxic to aquatic environment and not classified as per the criteria mentioned in CLP regulation.
Similarly in a supporting weight of evidence study from ABITEC report for (130-23-4) study were to determine the toxicity of a chemical 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid on the growth of water flea daphnia magna. Determination of the inhibition of the mobility of daphnids was carried out with the substance 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid according to OECD Guideline 202. The test substance was tested at the concentrations of 0 for 3 controls and 5, 10, 25, 100, 200 mg/L for test chemical. Effects on immobilisation were observed for 48 hours. The median effective concentration (EC50) for the test substance, 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid, in Daphnia magna was determined to be 500 mg/L for immobilisation effects. This value indicates that the substance 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid is likely to be non-hazardous to aquatic invertebrates and cannot be classified as toxic as per the CLP criteria.
Similarly in a third supporting weight of evidence study from Chemosphere, 1994 for the structural similar read across chemical (121-57-3) toxicological profile for the sulfonic acids were study. Total 24hrs of exposure was provided to the daphnia magna. From the study the EC50 value for short term toxicity to aquatic invertebrates for Sulfanilic acid (121-57-3) in 24 hrs was determined to be 109.13 mg/l. Based on the result, Sulfanilic acid (121-57-3) was considered as not classified as per the CLP regulations.
Further study for the read across chemical (98-40-8) supports the classification of target chemical. Study for the read across chemical was taken from Chemosphere 1994. Study was conducted to determine the toxic nature of chemical 2-(Ethylamino) toluene-4-sulphonic acid on the mobility of daphnia magna. The EC50 value for short term toxicity to aquatic invertebrates daphnia magna for 2-(Ethylamino)toluene-4-sulphonic acid in 24 hrs and 48hrs was determined to be 170 mg/l and 154 mg/l. Based on the EC50 value, it can be concluded that the chemical 2-(Ethylamino) toluene-4-sulphonic acid was nontoxic and can be consider to be not classified as per the CLP classification criteria.
Similarly fifth study was conducted on the read across chemical selected on the basis of structure similarity 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl) azo]-, calcium salt (D & C Red no. 7) (5281-04-9) from the OECD SIDS Initial Assessment Report. Detection of the effect of D & C Red no. 7 on the growth of daphnia magna by following standard OECD guideline. The test was performed in static system by following the OECD guideline. Daphnia magna exposed with the chemical for 24hrs. Based on the immobilization of daphnia magna by the chemical 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl) azo]-, calcium salt (D & C Red no. 7) for 24hrs, the EC50 was 280 mg/l.
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 for its read across substance from ABITEC report, peer reviewed journal Chemosphere 1994 and SIDS report, it can be concluded that the test substance 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (6259-53-6) is not toxic and can be consider to be not classified as toxic as per the CLP classification criteria.
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