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EC number: 204-246-1 | CAS number: 118-33-2
- 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
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:
- Data is from OECD QSAR toolbox version 3.3 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox version 3.3.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material : 6-aminonaphthalene-1, 3-disulfonic acid
- Molecular formula : C10H9NO6S2
- Molecular weight : 303.314 g/mol
- Smiles notation : c12c(cc(S(O)(=O)=O)cc1S(O)(=O)=O )cc(N)cc2
- InChl :1S/C10H9NO6S2/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- Details on sampling:
- no data
- Vehicle:
- not specified
- Details on test solutions:
- no data
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- no data
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- No data
- Post exposure observation period:
- No data
- Hardness:
- No data
- Test temperature:
- No data
- pH:
- No data
- Dissolved oxygen:
- No data
- Salinity:
- No data
- Conductivity:
- No data
- Nominal and measured concentrations:
- No data
- Details on test conditions:
- No data
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 137.649 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: nontoxic
- Details on results:
- No data
- Results with reference substance (positive control):
- No data
- Reported statistics and error estimates:
- No data
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 value was estimated to be 138 mg/l when1, 3-Naphthalenedisulfonic acid, 6-amino exposed to Daphnia magna for 48hrs.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Daphnia magna was predicted for 118-33-2 (1, 3-Naphthalenedisulfonic acid, 6-amino). The EC50 value was estimated to be 138mg/l when1, 3-Naphthalenedisulfonic acid, 6-amino exposed to Daphnia magna for 48hrs.
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" or "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and "l" )
and ("m"
and "n" )
)
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) AND
beta-Naphthylamines, Sulfonated 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.1.3
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Primary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Non binder, impaired OH or NH2 group OR Non binder, non cyclic structure
OR Weak binder, NH2 group OR Weak binder, OH group by Estrogen Receptor
Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Carbamate Esters OR Not Related
to an Existing ECOSAR Class OR Salt by Aquatic toxicity classification
by ECOSAR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Amides by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Fused
carbocyclic aromatic AND Naphtalene AND Sulfonic acid by Organic
Functional groups ONLY
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -7.08
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.54
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Daphnia magna was predicted for 118-33-2 (1, 3-Naphthalenedisulfonic acid, 6-amino). The EC50 value was estimated to be 138mg/l when1, 3-Naphthalenedisulfonic acid, 6-amino exposed to Daphnia magna for 48hrs.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 138 mg/L
Additional information
Based on the various experimental data for the target chemical 6 amino-1,3 naphthalene –disulfonic acid (118-33-2) been reviewed to determine the toxic nature of target chemical 6 amino-1,3 naphthalene –disulfonic acid. The studies are as mentioned below:
In the first weight of evidence study using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Daphnia magna was predicted for 118-33-2 (1, 3-Naphthalenedisulfonic acid, 6-amino). The EC50 value was estimated to be 138mg/l when1, 3-Naphthalenedisulfonic acid, 6-amino exposed to Daphnia magna for 48hrs.
Similarly in the another weight of evidence study for target chemical from EPIsuite 2017, Based on the prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 720000mg/l for CAS name 6-aminonaphthalene-1, 3-disulfonic acid in 48 hrs. Based on this value it can be concluded that the substance is considered to be not toxic to aquatic environment and cannot be classified as per the criteria mentioned in CLP regulation.
Similar study for the RA chemical 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (ABITEC s.r.o, 2016) which support the classification. Determination of the inhibition of the mobility of daphnids was carried out with the substance 1,2-benzisothiazol-3(2H)-one 1,1-dioxide according to OECD Guideline 202.The test substance was tested at the concentration 100 mg/L. 0% Daphnia were immobilized at the end of the test. The median effective concentration (EC50) for the test substance, 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, in Daphnia magna was determined to be > 100 mg/L for immobilization effects. This value indicates that the substance is not likely to be hazardous to aquatic invertebrates as per the CLP criteria.
By considering another report for 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (81-07-2), international environment journal. In terms of toxicity saccharin does not showed any statistically significant adverse effects in test concentrations up to 1000 mg L−1 (P > 0.05). Based on the lack of effects on all endpoints evaluated, the No Observed Effect Level Concentration (NOEC) can be given as 1000 mg L−1 and the Lowest Observed Effect Concentration (LOEC) as >1000 mg L−1 for the target compound. And thus the chemical 1,2-benzisothiazol-3(2H)-one 1,1-dioxide was consider as not toxic to aquatic invertebrates.
Based on the various experimental data for the target chemical 6 amino-1,3 naphthalene –disulfonic acid (118-33-2) from QSAR and EPI suite, ABITEC report and environmental journal the chemical was not toxic for daphnia magna and thus not consider for the further classification as per the CLP classification criteria.
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