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EC number: 243-754-8 | CAS number: 20349-39-7
- 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
Key value for chemical safety assessment
Genetic toxicity in vitro
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, gene mutation was predicted for 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2). The study assumed the use of Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with S9 metabolic activation system. 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2) was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro.
Based on the predicted result it can be concluded that the substance is considered to be not toxic as per the criteria mentioned in CLP regulation.
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- 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 3.4 and the spporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Refer below principle
- Principles of method if other than guideline:
- Prediction is doen using OECD QSAR Toolbox version 3.4, 2017
- GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- - Name of the test material: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2)
- IUPAC name: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2)
- Molecular formula: C10H8O7S2.2Na
- Molecular weight: 348.2624 g/mol
- Substance type: Organic
- Smiles: c1cc2c(cc1S(=O)(=O)[O-])cc(cc2O)S(=O)(=O)[O-].[Na+].[Na+] - Target gene:
- Histidine
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and TA 102
- Details on mammalian cell type (if applicable):
- Not applicable
- Additional strain / cell type characteristics:
- not specified
- Cytokinesis block (if used):
- No data
- Metabolic activation:
- with
- Metabolic activation system:
- S9 metabolic activation system
- Test concentrations with justification for top dose:
- No data
- Vehicle / solvent:
- No data
- Untreated negative controls:
- not specified
- Negative solvent / vehicle controls:
- not specified
- True negative controls:
- not specified
- Positive controls:
- not specified
- Positive control substance:
- not specified
- Details on test system and experimental conditions:
- No data
- Rationale for test conditions:
- No data
- Evaluation criteria:
- Prediction is done considering a dose dependent increase in the number of revertants/plate
- Statistics:
- No data
- Species / strain:
- S. typhimurium, other: TA 1535, TA 1537, TA 98, TA 100 and TA 102
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Additional information on results:
- No data
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
- Conclusions:
- 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2) was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro.
- 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, gene mutation was predicted for 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2). The study assumed the use of Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with S9 metabolic activation system. 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2) was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro.
Based on the predicted result it can be concluded that the substance is considered to be not toxic as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Gene mutation"
Estimation method: Takes highest mode value from the 11 nearest
neighbours
Domain logical expression:Result: In Domain
(((((((((("a"
or "b" )
and ("c"
and (
not "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"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Strong binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "b"
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: "c"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "d"
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
Michael addition OR Michael addition >> Polarised Alkenes OR Michael
addition >> Polarised Alkenes >> Polarised alkene - esters OR Michael
addition >> Polarised Alkenes >> Polarised alkene - ketones OR Michael
addition >> Polarised Alkenes >> Polarised alkene - nitro OR Michael
addition >> Quinones and Quinone-type Chemicals OR Michael addition >>
Quinones and Quinone-type Chemicals >> Pyranones (and related nitrogen
chemicals) OR Michael addition >> Quinones and Quinone-type Chemicals >>
Quinone-imine OR Schiff Base Formers OR Schiff Base Formers >> Direct
Acting Schiff Base Formers OR Schiff Base Formers >> Direct Acting
Schiff Base Formers >> Mono-carbonyls OR SN2 OR SN2 >> Epoxides and
Related Chemicals OR SN2 >> Epoxides and Related Chemicals >> Epoxides
OR SN2 >> SN2 reaction at a sulphur atom OR SN2 >> SN2 reaction at a
sulphur atom >> Disulfides OR SN2 >> SN2 reaction at a sulphur atom >>
Thiols OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction
at sp3 carbon atom >> Alkyl halides OR SN2 >> SN2 reaction at sp3 carbon
atom >> Allyl acetates and related chemicals OR SNAr OR SNAr >>
Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic
substitution >> Activated halo-benzenes by Protein binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by in vitro
mutagenicity (Ames test) alerts by ISS
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as 9,10-dihydrophenanthrenes OR
Aliphatic halogens OR Alkyl and aryl N-nitroso groups OR Alkyl
hydroperoxides OR alpha,beta-unsaturated carbonyls OR Anthrones OR
Aromatic diazo OR Aromatic mono-and dialkylamine OR Heterocyclic
Polycyclic Aromatic Hydrocarbons OR Hydrazine OR Nitro-aromatic OR
Polycyclic Aromatic Hydrocarbons OR Primary aromatic amine,hydroxyl
amine and its derived esters OR Quinones OR Xanthones, Thioxanthones,
Acridones by in vitro mutagenicity (Ames test) alerts by ISS
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by in vivo
mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as 1,3-dialkoxy-benzene OR
1-phenoxy-benzene OR Alkyl carbamate and thiocarbamate OR
H-acceptor-path3-H-acceptor OR Nitro-aromatic OR Oxolane by in vivo
mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Alkali Earth AND Non-Metals by
Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "l"
Similarity
boundary:Target:
Oc1cc(S(=O)(=O)O{-}.[Na]{+})cc2cc(S(=O)(=O)O{-}.[Na]{+})ccc12
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Similarity
boundary:Target:
Oc1cc(S(=O)(=O)O{-}.[Na]{+})cc2cc(S(=O)(=O)O{-}.[Na]{+})ccc12
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "n"
Similarity
boundary:Target:
Oc1cc(S(=O)(=O)O{-}.[Na]{+})cc2cc(S(=O)(=O)O{-}.[Na]{+})ccc12
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -6.34
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -0.464
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Genetic toxicity in vivo
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Gene mutation in vitro:
Prediction model based estimation and data from read across chemicals have been reviewed to determine the mutagenic nature of 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2). The studies are as mentioned below:
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, gene mutation was predicted for 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2). The study assumed the use of Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with and without S9 metabolic activation system. 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2) was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence and absence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro.
Gene mutation toxicity was predicted for 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2) using the battery approach from Danish QSAR database (2017). The study assumed the use of Salmonella typhimurium bacteria in the Ames test. The end point for gene mutation has been modeled in the Danish QSAR using the three software systems Leadscope, CASE Ultra and SciQSAR. Based on predictions from these three systems, a fourth and overall battery prediction is made. The battery prediction is made using the so called Battery algorithm. With the battery approach it is in many cases possible to reduce “noise” from the individual model estimates and thereby improve accuracy and/or broaden the applicability domain. Gene mutation toxicity study as predicted by Danish QSAR for(2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2)is negative and hence the chemical is predicted to not classify as a gene mutant in vitro.
The ability of 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2) to induce chromosomal aberration was predicted using Chinese hamster ovary (CHO) cells using Danish QSAR database (2017). The end point for chromosome aberrations has been modeled in the Danish QSAR using the three software systems Leadscope, CASE Ultra and SciQSAR. Based on predictions from these three systems, a fourth and overall battery prediction is made. The battery prediction is made using the so called Battery algorithm. With the battery approach it is in many cases possible to reduce “noise” from the individual model estimates and thereby improve accuracy and/or broaden the applicability domain. 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2) does notinduce chromosome aberrations in Chinese hamster ovary (CHO) cells and hence is predicted to not classify as a gene mutant in vitro.
In a study for read across chemical, Gene mutation toxicity study was performed by Chung et al (Applied and Environmental Microbiology, 1981) to determine the mutagenic nature 90 -100% structurally and functionally similar read across chemical of R salt (RA CAS no 135 -51 -3, IUPAC name: disodium 3-hydroxynaphthalene-2,7-disulfonate). The study was performed by the standard plate incorporation assay and the preincubation method using Salmonella typhimurium strains TA1535, TA1537, TA1538, TA98, and TA100 with and without S9 metabolic activation system. Also, the liquid preincubation assays were timed for 30 min at 37°C in a Dri-block. The test chemical was dissolved in DMSO and upto a maximum nontoxic dose of 5000 µg/plate for plate incorporation assay and 1000 µg/plate for preincubation assay. Concurrent solvent and positive controls were also included in the study.R salt did not induce gene mutation in Salmonella typhimurium strains TA1535, TA1537, TA1538, TA98, and TA100 in the presence and absence of S9 metabolic activation system and hence it is not likely to classify as a gene mutant in vitro.
Acid orange 10 (RA CAS no 1936 -15 -8; IUPAC name: 7-hydroxy-8-(phenyldiazenyl)naphthalene-1,3-disulfonate) was studied by Zeiger et al (Environmental and Molecular Mutagenesis, 1988) for its ability to induce mutations in strains of Salmonella typhimurium. The test compound was dissolved in water and was tested at concentration of 0, 100, 333, 1000, 3333, 10000 µg/plate using Salmonella typhimurium TA100, TA1535, TA97 and TA98 in the presence and absence of 10 % and 30 % rat and hamster liver S9 metabolic activation system. Preincubation assay was performed with a preicubation for 20 mins. The plates were observed for histidine independence after 2 days incubation period. Concurrent solvent and positive controls were included in the study. Acid orange 10 is not mutagenic to the Salmonella typhimurium TA100, TA1535, TA97 and TA98 in the presence and absence of rat and hamster liver S9 metabolic activation system.
Based on the data available for the target chemical and its read across, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2) does not exhibit gene mutation in vitro. Hence the test chemical is not likely to classify as a gene mutant as per the criteria mentioned in CLP regulation.
Justification for classification or non-classification
Based on the data available for the target chemical and its read across, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2) (CAS no 20349 -39 -7) does not exhibit gene mutation in vitro. Hence the test chemical is not likely to classify as a gene mutant as per the criteria mentioned in CLP regulation.
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