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EC number: 280-631-8 | CAS number: 83732-80-3
- 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
- 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:
- - Chemical name: disodium 8-hydroxynaphthalene-1,6-disulfonate
- Molecular formula: C10-H8-O7-S2.2Na
- Molecular weight: 348.2624 g/mole
- Smiles: c1cc2cc(cc(c2c(c1)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]
- Inchl: 1S/C10H8O7S2.2Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
- Substance type: Organic
- Physical state: - Analytical monitoring:
- not specified
- 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
- 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.:
- 168.644 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: Other details not known
- Details on results:
- The EC50 was 168.64 mg/l.
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Based on the intoxication of daphnia magna due to the exposure of chemical disodium 8-hydroxynaphthalene-1,6-disulfonate, the EC50 was 168.64 mg/l.
- 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 five closest read across substances, toxicity on daphnia magna was predicted for disodium 8-hydroxynaphthalene-1,6-disulfonate (83732-80-3). Based on the intoxication of test organism the EC50 value was estimated to be 168.64 mg/l when disodium 8-hydroxy naphthalene-1,6-disulfonate exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance disodium 8-hydroxynaphthalene-1,6-disulfonate is 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 5 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 (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and "o" )
and "p" )
and ("q"
and "r" )
)
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 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 >> 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 AND Salt
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 >> 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 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 Strong binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup 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 Very strong binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as SNAr by Protein binding by OECD
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as SN2 >> SN2 reaction at sp3
carbon atom >> alpha-Halocarbonyls by Protein binding by OECD
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (extension) ONLY
Domain
logical expression index: "p"
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: "q"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 152
Da
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 479
Da
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 five closest read across substances, toxicity on daphnia magna was predicted for disodium 8-hydroxynaphthalene-1,6-disulfonate (83732-80-3). Based on the intoxication of test organism the EC50 value was estimated to be 168.64 mg/l when disodium 8-hydroxy naphthalene-1,6-disulfonate exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance disodium 8-hydroxynaphthalene -1,6-disulfonate is 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:
- 168.64 mg/L
Additional information
Various predicted data for the target compound disodium 8-hydroxynaphthalene-1,6-disulfonate (83732-80-3) and experimental data for supporting weight of evidence studies for its closest read across substance with log Kow as the primary descriptor and structural, functional similarities 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 five closest read across substances, toxicity on daphnia magna was predicted for disodium 8-hydroxynaphthalene-1,6-disulfonate (83732-80-3). Based on the intoxication of test organism the EC50 value was estimated to be 168.64 mg/l when disodium 8-hydroxy naphthalene-1,6-disulfonate exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance disodium 8-hydroxynaphthalene-1,6-disulfonate is considered to be not toxic to aquatic environment and not classified as per the criteria mentioned in CLP regulation.
Similarly in a second 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), Determination of the inhibition of the mobility of daphnids was carried out with the substance 5-amino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate according to OECD Guideline 202. The test substance was tested at the limit concentrations of 100 mg/l for test chemical. Effects on immobilisation were observed for 48 hours. The NOEC for the test substance, disodium 5-amino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate, in Daphnia magna was determined to be 100 mg/L on the basis of mobility inhibition effects in a 48 hour study. This value indicates that the substance 5-amino-4-hydroxy-3-(phenylazo) naphthalene-2,7-disulphonate is likely to be non-hazardous to aquatic invertebrates and cannot be classified as toxic as per the CLP criteria.
Further first predicted study was supported by the another weight of evidence studies for the structurally similar read across chemical Disodium 3-[(2,4-dimethyl- 5-sulpho- natophenyl) azo]-4-hydroxy naphthalene-1-sulphonate (4548-53-2) from ABITEC report. Determination of the inhibition of the mobility of daphnids was carried out with the substance Disodium 3-[(2,4-dimethyl- 5-sulpho- natophenyl) azo]-4-hydroxy naphthalene-1-sulphonate according to OECD Guideline 202. A limit test at sample concentration of 100 mg/L was performed. Effects on immobilisation were observed for 48 hours. The median effective concentration (EC50) for the test substance, Disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene -1-sulphonate, in Daphnia magna was determined to be >100 mg/L for immobilisation effects. Based on this EC50 value and after comparing with CLP criteria for aquatic classification of the substance it is concluded that the substance, Disodium 3-[(2,4-dimethyl -5-sulphonatophenyl)azo]- 4-hydroxynaphthalene-1-sulphonate does not exhibit short term toxicity to aquatic invertebrate (Daphnia Magna).
Similarly in a fourth 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 on 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.
Thus based on the predicted data from QSAR toolbox version 3.4 for target chemical disodium 8-hydroxynaphthalene-1,6-disulfonate (83732-80-3) and also considering experimental K1 data for structurally similar read across chemical from ABITEC lab and UERL lab, it can be concluded that the chemical disodium 8-hydroxynaphthalene-1,6-disulfonate (83732-80-3) was nontoxic to the aquatic invertebrates and can be consider to be not classified as toxic as per the CLP classification criteria.
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