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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
Endpoint summary
Administrative data
Description of key information
The skin sensitization potential of 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) was estimated to be not sensitising to the skin of guinea pigs. Based on the estimated result 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) failed to induce skin sanitization effects and hence is considered to be not sensitizing to guinea pigs.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 1 (reliable without restriction)
- 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 QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Type of study:
- not specified
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 6-aminonaphthalene-1,3-disulfonic acid
- Common name: 6-Amino-1,3-naphthalenedisulfonate
- 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 - Species:
- guinea pig
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals and environmental conditions:
- not specified
- Route:
- other: not specified
- Route:
- other: not specified
- No. of animals per dose:
- not specified
- Details on study design:
- not specified
- Challenge controls:
- not specified
- Reading:
- 1st reading
- Group:
- test chemical
- No. with + reactions:
- 0
- Clinical observations:
- no sensitizing effects were observed.
- Remarks on result:
- no indication of skin sensitisation
- Cellular proliferation data / Observations:
- No skin sensitizing effects were observed.
- Interpretation of results:
- other: Not sensitizing
- Conclusions:
- The chemical 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) was estimated to be not sensitising to the skin of guinea pigs. Based on the estimated result 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) failed to induce skin sanitization effects and hence is considered to be not sensitizing to guinea pigs.
- Executive summary:
The skin sensitization potential of 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) was estimated to be not sensitising to the skin of guinea pigs. Based on the estimated result 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) failed to induce skin sanitization effects and hence is considered to be not sensitizing to guinea pigs and can be classified under the category ˋ Not Classified’ as per CLP regulation
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 7 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 "k" )
)
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, MW>500 OR Non binder, non cyclic structure OR Non binder,
without OH or NH2 group OR Very strong binder, OH group 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 (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CNS Surface Tension > 62
mN/m AND Group All Melting Point > 200 C AND Group CNS log Kow < 0.5 AND
Group CNS Melting Point > 120 C AND Group CNS Melting Point > 50 C by
Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group CN Lipid
Solubility < 0.4 g/kg OR (!Undefined)Group CNHal Lipid Solubility < 4
g/kg OR (!Undefined)Group CNHal Lipid Solubility < 400 g/kg OR Group All
log Kow < -3.1 OR Group CN Aqueous Solubility < 0.0001 g/L OR Group CN
Aqueous Solubility < 0.1 g/L OR Group CN log Kow > 4.5 OR Group CN log
Kow > 5.5 OR Group CN Melting Point > 180 C OR Group CN Molecular Weight
> 290 g/mol OR Group CN Vapour Pressure < 0.001 Pa OR Group CNHal
Aqueous Solubility < 0.001 g/L OR Group CNHal Aqueous Solubility < 0.1
g/L OR Group CNHal log Kow > 3.8 OR Group CNS log Kow < -2 by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.61
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.88
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Various studies has been investigated for the test chemical6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs for target chemical6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) and its structurally similar read across substancesDapsone (CAS No: 80-08-0) and Ensulizole(CAS No: -27503 -81 -7 ).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
The skin sensitization potential of 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) was estimated to be not sensitising to the skin of guinea pigs. Based on the estimated result 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) failed to induce skin sanitization effects and hence is considered to be not sensitizing to guinea pigs.
The National Technical Reports library (NTRL, 1991) conducted a preliminary dose-range finding study on structurally similar read across substancein which four animals (two males and two females) were exposed to one concentration (as received) of Dapsone (CAS No: 80-08-0) at four skin sites. Based upon the results of the dose-range finding study, the dose chosen for induction was 100 %. Dapsone was dermally applied to twenty guinea pigs (ten males and ten females for a total of three six-hour insult periods at a 100 % concentration. An additional group of ten guinea pigs (five males and five females) was treated with 1-chloro-2,4-dinitrobenzene at 0.3% concentration for a total of three six-hour insult periods. Fourteen days after the last induction period, all animals were challenged at a naive site. A positive response was elicited in the animals receiving the positive control article, 1-chloro-2,4-dinitrobenzene (DNCB). Redness and edema scores in all animals at 24 and 48 h recorded after each treatment and at 24 and 48 h after the challenge. No positive responses were observed in guinea pig receiving dapsone at a 100 % concentration at 24 or 48 hours after the challenge. Dapsone did not cause hypersensitivity in quinea piqs. Hence Dapsone (CAS No: 80-08-0) is not sensitizer to the skin of Guinea pig.
The above results were further supported by guinea pig maximization study carried out by the HEALTH AND CONSUMER PROTECTION DIRECTORATE GENERAL (2016)onstructurally similar read across substance Ensulizole(CAS No: -27503 -81 -7 ) in Dunkin Hartley guinea pigs. In induction phase 20 animals in test group and 10 animals in negative controls were used. Animals were induced with intradermal injections of 0.1ml Freund’s complete adjuvant in water, Phenylbenzimidazole Sulfonic Acid 1% w/v in arachis oil, and Freund’s and Phenylbenzimidazole Sulfonic Acid 1% w/v in arachis oil (1:1) into three separate sites.After 1 week, a single topical application of0.2 – 0.3 ml Phenylbenzimidazole Sulfonic Acid 50% w/w in arachis oilunder occlusion for 48 hours was applied.On day 21 animals were challenged with 0.l-0.2 ml Phenylbenzimidazole Sulfonic Acid 25 and 10% w/w in arachis oil.Since there was no evidence of any skin reaction, the test materialEnsulizole/Phenylbenzimidazole Sulfonic Acid (CAS No: -27503-81-7) can be concluded as not sensitizing to guinea pigs.
Thus on the basis of available data for thetarget chemical6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) and its structurally similar read across substancesDapsone (CAS No: 80-08-0) and Ensulizole(CAS No: -27503 -81 -7 ),it can be concluded thatchemical 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) is unable to cause skin sensitization and considered as non skin sensitizer.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The skin sensitization potential of test substance 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) and its structurally similar read across substancesDapsone (CAS No: 80-08-0) and Ensulizole(CAS No: -27503 -81 -7 ) were observed in various studies. From the results obtained from these studies it is concluded that the chemical 6-aminonaphthalene-1,3-disulfonic acid (CAS No: 118-33-2) is not likely to cause skin sensitization and hencecan be classified under the category “Not Classified”as CLP regulation.
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