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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
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:
- Data is from OECD QSAR toolbox version 3.3 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Version / remarks:
- No data
- Deviations:
- not specified
- 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 amino-1,3 naphthalene –disulfonic acid
- Molecular formula: C10H9NO6S2
- Molecular weight: 303.314 g/mole
- 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):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Details on test organisms:
- No data
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 72 h
- Remarks on exposure duration:
- No data
- Post exposure observation period:
- No data
- Hardness:
- no data
- Test temperature:
- 22.4-23.2
- pH:
- 7.6-7.8
- 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:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 121.061 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: no more data available.
- 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 121.060 mg/l when 1, 3-Naphthalenedisulfonic acid, 6-amino exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 72hrs.
- Executive summary:
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 Desmodesmus subspicatus was predicted for 118-33-2 (1, 3-Naphthalenedisulfonic acid, 6-amino). The EC50 value was estimated to be 121.060mg/l when1, 3-Naphthalenedisulfonic acid, 6-amino exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 72hrs.
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" )
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "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 Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Phenols, Poly by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Anilines (Hindered) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Phenol Amines by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.27
Description of key information
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 Desmodesmus subspicatus was predicted for 118-33-2 (1, 3-Naphthalenedisulfonic acid, 6-amino). The EC50 value was estimated to be 121.060mg/l when1, 3-Naphthalenedisulfonic acid, 6-amino exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 72hrs.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 121.06 mg/L
Additional information
Based on the various experimental data for the target chemical 6 amino-1,3 naphthalene –disulfonic acid (118-33-2) have 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 Desmodesmus subspicatus was predicted for 118-33-2 (1, 3-Naphthalenedisulfonic acid, 6-amino). The EC50 value was estimated to be 121.060mg/l when1, 3-Naphthalenedisulfonic acid, 6-amino exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 72hrs.
Similarly in the another weight of evidence study for target chemical from 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 1,3-Naphthalenedisulfonic acid, 6-amino (118 -33 -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 1,3-Naphthalenedisulfonic acid, 6-amino is estimated to be 8934.211 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 1,3-Naphthalenedisulfonic acid, 6-amino 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 the another study for read across chemical 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, (81 -07 -2) sustainable support services, Europe. Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance 1,2-benzisothiazol-3(2H)-one 1,1-dioxide according to OECD Guideline 2. The test substance was dissolved in DMSO and tested at the concentrations 0, 17, 30, 55, 100 and 185 mg/L. Effects on the growth rate of the organism were studied. The median effective concentration (EC50) for the test substance, 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, in Desmodesmus subspicatus was determined to be 113.2 mg/L.This value indicates that the substance is not likely to be hazardous to aquatic algae as per the CLP criteria.
In the fourth weight of evidence study for read across chemical 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, (81 -07 -2) environmental journal, In terms of toxicity saccharin 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. Thus based on the NOEC and LOEC 1,2-benzisothiazol-3(2H)-one 1,1-dioxide was nontoxic and can be consider as not classified as per the CLP classification criteria.
Based on the various experimental data for the target chemical 6 amino-1,3 naphthalene –disulfonic acid (118-33-2) from QSAR Danish, ABITEC report and journal, the chemical was not toxic for algae and thus not classified as per the CLP classification criteria.
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