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EC number: 228-406-5 | CAS number: 6259-53-6
- 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
Skin irritation
The dermal irritation potential of target chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) was assessedin various experimental studies which were conducted on rabbits and rats for target chemical4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) and its structurally similar read across substancesDisodium 5-acetylamino-4-hydroxy-3-(phenylazo)naphthalene-2,7 –disulphonate [CAS No: 3567-69-9], 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) and 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 90-51-7). The predicted data usingQSAR toolboxhas also been compared with the experimental data.Based on the available data for the target and read across substances and applying the weight of evidence approach, it can be concluded that chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) is unable to cause skin irritation and thus considered as not irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye irritation
An ocular irritation potential of target chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) was assessedin various experimental studies which were conducted on rabbits for target chemical4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) and its structurally similar read across substances7-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) and 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 90-51-7). The predicted data usingQSAR toolboxhas also been compared with the experimental data.Based on the available data for the target and read across substances and applying the weight of evidence approach, it can be concluded that chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) is unable to cause eye damage and thus can be considered as not irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- 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 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 3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid
- Molecular formula: C11H11NO4S
- Molecular weight: 253.2769 g/mol
- Smiles notation: CNc1ccc2cc(cc(c2c1)O)S(=O)(=O)O
- InChl: 1S/C11H11NO4S/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8/h2-6,12-13H,1H3,(H,14,15,16)
- Substance type: Organic
- Physical state: Solid - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- occlusive
- Preparation of test site:
- clipped
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 24 hours
- Observation period:
- 72 hours
- Number of animals:
- No data available
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No skin irritation was observed in treated group.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) was estimated to be not irritating to the skin of New Zealand White rabbits. Based on the estimated result 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)can be considered to be not irritating to skin.
- Executive summary:
The dermal irritation potential of 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) was estimated using OECD QSAR toolbox version 3.4 with logPow as the primary descriptor. The chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) was estimated to be not irritating to the skin of New Zealand White rabbits. Based on the estimated result 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)can be considered to be not irritating to skin and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 10 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 "j" )
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Secondary aromatic amine
by DNA binding by OECD
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 >> N-Substituted Aromatic Amines 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 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, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines OR AN2 >> Michael-type addition, quinoid
structures >> Quinones and Trihydroxybenzenes OR AN2 >> Schiff base
formation OR AN2 >> Schiff base formation >> Polarized Haloalkene
Derivatives OR AN2 >> Shiff base formation after aldehyde release OR AN2
>> Shiff base formation after aldehyde release >> Specific Acetate
Esters OR AN2 >> Thioacylation via nucleophilic addition after
cysteine-mediated thioketene formation OR AN2 >> Thioacylation via
nucleophilic addition after cysteine-mediated thioketene formation >>
Haloalkenes with Electron-Withdrawing Groups OR AN2 >> Thioacylation via
nucleophilic addition after cysteine-mediated thioketene formation >>
Polarized Haloalkene Derivatives OR Non-covalent interaction OR
Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> Amino Anthraquinones OR Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
and Aminoalkylamine Side Chain OR Non-covalent interaction >> DNA
intercalation >> Fused-Ring Primary Aromatic Amines OR Non-covalent
interaction >> DNA intercalation >> Quinones and Trihydroxybenzenes OR
Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR
Radical >> Radical mechanism via ROS formation (indirect) >> Amino
Anthraquinones OR Radical >> Radical mechanism via ROS formation
(indirect) >> Fused-Ring Primary Aromatic Amines OR Radical >> Radical
mechanism via ROS formation (indirect) >> Nitro Azoarenes OR Radical >>
Radical mechanism via ROS formation (indirect) >> Nitroaniline
Derivatives OR Radical >> Radical mechanism via ROS formation (indirect)
>> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >>
Radical mechanism via ROS formation (indirect) >> Quinones and
Trihydroxybenzenes OR Radical >> Radical mechanism via ROS formation
(indirect) >> Single-Ring Substituted Primary Aromatic Amines OR Radical
>> ROS formation after GSH depletion (indirect) OR Radical >> ROS
formation after GSH depletion (indirect) >> Quinoneimines OR SN1 OR SN1
>> Nucleophilic attack after carbenium ion formation OR SN1 >>
Nucleophilic attack after carbenium ion formation >> Specific Acetate
Esters OR SN1 >> Nucleophilic attack after metabolic nitrenium ion
formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion
formation >> Amino Anthraquinones OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines
OR SN1 >> Nucleophilic attack after nitrenium ion formation OR SN1 >>
Nucleophilic attack after nitrenium ion formation >> Single-Ring
Substituted Primary Aromatic Amines OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack
after reduction and nitrenium ion formation >> Nitro Azoarenes OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
Nitroaniline Derivatives OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation >> Nitrophenols, Nitrophenyl Ethers and
Nitrobenzoic Acids OR SN2 OR SN2 >> Acylation OR SN2 >> Acylation >>
Specific Acetate Esters OR SN2 >> Alkylation, direct acting epoxides and
related after P450-mediated metabolic activation OR SN2 >> Alkylation,
direct acting epoxides and related after P450-mediated metabolic
activation >> Haloalkenes with Electron-Withdrawing Groups OR SN2 >>
Alkylation, direct acting epoxides and related after P450-mediated
metabolic activation >> Polarized Haloalkene Derivatives OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> Specific Acetate Esters OR SN2 >> SN2
at sp3 and activated sp2 carbon atom OR SN2 >> SN2 at sp3 and activated
sp2 carbon atom >> Polarized Haloalkene Derivatives by DNA binding by
OASIS v.1.4
Domain
logical expression index: "g"
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 >> N-Substituted Aromatic Amines AND AN2 >>
Michael-type addition to quinoid structures >> Substituted Phenols by
Protein binding by OASIS v1.4
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >>
Acylation involving an activated (glucuronidated) carboxamide group OR
Acylation >> Acylation involving an activated (glucuronidated)
carboxamide group >> Carboxylic Acid Amides OR Acylation >> Acylation
involving an activated (glucuronidated) ester group OR Acylation >>
Acylation involving an activated (glucuronidated) ester group >>
Arenecarboxylic Acid Esters OR Acylation >> Direct acylation involving a
leaving group OR Acylation >> Direct acylation involving a leaving group
>> Carboxylic Acid Amides OR Acylation >> Ester aminolysis OR Acylation
>> Ester aminolysis >> Amides OR Acylation >> Ester aminolysis or
thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Activated
aryl esters OR AN2 >> Michael addition to activated double bonds OR AN2
>> Michael addition to activated double bonds >> alpha,beta-Unsaturated
Carbonyls and Related Compounds OR AN2 >> Michael addition to alpha,
beta-unsaturated acids and esters OR AN2 >> Michael addition to alpha,
beta-unsaturated acids and esters >> alpha,beta-Unsaturated Carboxylic
Acids and Esters OR AN2 >> Michael-type addition to quinoid structures
>> Carboxylic Acid Amides OR AN2 >> Michael-type addition to quinoid
structures >> Hydroxylated Phenols OR No alert found OR Nucleophilic
addition OR Nucleophilic addition >> Addition to carbon-hetero double
bonds OR Nucleophilic addition >> Addition to carbon-hetero double bonds
>> Ketones OR Schiff base formation OR Schiff base formation >> Schiff
base formation with carbonyl compounds OR Schiff base formation >>
Schiff base formation with carbonyl compounds >> Aromatic carbonyl
compounds OR SN1 OR SN1 >> Carbenium ion formation (enzymatic) OR SN1 >>
Carbenium ion formation (enzymatic) >> Carbenium ion OR SN2 OR SN2 >>
SN2 Reaction at a sp3 carbon atom OR SN2 >> SN2 Reaction at a sp3 carbon
atom >> Activated alkyl esters and thioesters OR SNAr OR SNAr >>
Nucleophilic aromatic substitution on activated aryl and heteroaryl
compounds OR SNAr >> Nucleophilic aromatic substitution on activated
aryl and heteroaryl compounds >> Activated aryl and heteroaryl compounds
by Protein binding by OASIS v1.4
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Phenols by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Esters of organic sulfonic or
sulfuric esters by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "m"
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: "n"
Referential
boundary: The
target chemical should be classified as Group CN Aqueous Solubility <
0.1 g/L by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.26
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.88
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- 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 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 3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid
- Molecular formula: C11H11NO4S
- Molecular weight: 253.2769 g/mol
- Smiles notation: CNc1ccc2cc(cc(c2c1)O)S(=O)(=O)O
- InChl: 1S/C11H11NO4S/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8/h2-6,12-13H,1H3,(H,14,15,16)
- Substance type: Organic
- Physical state: Solid - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- single application
- Observation period (in vivo):
- 48 hours
- Duration of post- treatment incubation (in vitro):
- No data available
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 48 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No eye irritation was observed in treated rabbits.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) was estimated to be not irritating into the eyes of New Zealand White rabbits. Based on the estimated result 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) can be considered to be not irritating to eye.
- Executive summary:
The ocular irritation potential of 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) was estimated using OECD QSAR toolbox version 3.4 with logPow as the primary descriptor. The chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) was estimated to be not irritating into the eyes of New Zealand White rabbits. Based on the estimated result 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 8 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((("a"
or "b" or "c" or "d" )
and "e" )
and "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"
and "s" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Secondary aromatic amine
by DNA binding by OECD
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 >> N-Substituted Aromatic Amines 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 by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Kb, pH 8)(Hydrowin) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (pH 6.5-7.4) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v.1.2
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >>
Acylation involving an activated (glucuronidated) carboxamide group OR
Acylation >> Acylation involving an activated (glucuronidated)
carboxamide group >> Carboxylic Acid Amides OR Acylation >> Direct
acylation involving a leaving group OR Acylation >> Direct acylation
involving a leaving group >> Carboxylic Acid Amides OR AN2 OR AN2 >>
Michael addition to activated double bonds OR AN2 >> Michael addition to
activated double bonds >> alpha, beta - Unsaturated Carbonyls and
Related Compounds OR AN2 >> Michael addition to the quinoid type
structures OR AN2 >> Michael addition to the quinoid type structures >>
Carboxylic Acid Amides OR AN2 >> Michael addition to the quinoid type
structures >> Hydroxylated Phenols OR AN2 >> Michael addition to the
quinoid type structures >> N-Subsituted Aromatic Amines OR AN2 >>
Michael addition to the quinoid type structures >> Quinoneimines OR AN2
>> Michael addition to the quinoid type structures >> Substituted
Anilines OR AN2 >> Michael addition to the quinoid type structures >>
Substituted Phenols by Protein binding alerts for Chromosomal aberration
by OASIS v.1.2
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as No alert found by Respiratory
sensitisation
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Pro-Michael Addition OR
Pro-Michael Addition >> Pro-quinone and related OR Pro-Michael Addition
>> Pro-quinone and related >> Aminophenols OR Pro-Michael Addition >>
Pro-quinone and related >> Phenylenediamines by Respiratory sensitisation
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aryl AND
Fused carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid
by Organic Functional groups
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Acrylamide OR Alcohol OR
Aliphatic Amine, tertiary OR Alkane branched with quaternary carbon OR
Alkane, branched with tertiary carbon OR Alkene OR Alkenyl halide OR
Alkoxy OR Alkyl arenes by Organic Functional groups
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aromatic amine AND Aryl AND
Fused carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid
by Organic Functional groups
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Allyl OR Amidine OR Aniline by
Organic Functional groups
Domain
logical expression index: "o"
Similarity
boundary:Target:
CNc1ccc2cc(S(O)(=O)=O)cc(O)c2c1
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "p"
Similarity
boundary:Target:
CNc1ccc2cc(S(O)(=O)=O)cc(O)c2c1
Threshold=60%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "q"
Similarity
boundary:Target:
CNc1ccc2cc(S(O)(=O)=O)cc(O)c2c1
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.32
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.72
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studies has been investigated for the test chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits and rats for target chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)and its structurally similar read across substances Disodium 5-acetylamino-4-hydroxy-3-(phenylazo)naphthalene-2,7 –disulphonate [CAS No: 3567-69-9], 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) and 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 90-51-7).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, skin irritation potential was estimated for 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6). The substance 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)is considered to be not irritating to the skin of New Zealand White rabbits.
This result was supported by the experimental study conducted in an OECD GLP laboratory (Sustainability Support Services (Europe) AB has the letter of access) for the structurally similar read across substance, Disodium 5-acetylamino-4-hydroxy-3-(phenylazo)naphthalene-2,7 –disulphonate [CAS No:3567-69-9].The study was performed as per OECD Guidelines 402 and complying to the GLP procedures. The test item was applied to shorn skin of 5 male and 5 female animals at 2000 mg/kg body weight. Administration of the test item at 2000 mg/kg did not result in any skin reaction at the site of application during the study period of 14 days. Administration of the test item did not result in any signs of toxicity and mortality during the study period of 14 days. Animals exhibited normal body weight gain through the study period of 14 days. Gross pathological examination did not reveal any abnormalities attributable to the treatment.From the study, it can be concluded that the test substance ‘Disodium 4-hydroxy-3-[(4-sulphonatonaphthyl)azo] naphthalenesulphonate’ is nonirritant to the skin of Sprague Dawley rats when applied to the shorn skin of 5 male and 5 female animals at the tested dose level of 2000 mg/kg body weight. Also the erythema and edema score of rats was calculated as 0. Thus it can be concluded that the substance Disodium 4-hydroxy-3-[(4-sulphonatonaphthyl)azo] naphthalenesulphonate can be considered as not irritating to the skin.
The above results were supported by the skin irritation studies reported by GREIM H., et.al. (Chemosphere Vol. 28, No. 12, pp. 2203.2236, 1994) and BG Chemie (TOXIKOLOGISCHE BEWERTUNGEN; TOXICOLOGICAL EVALUATION last updated: 06/2000) for two structurally similar read across substances 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) and 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 90-51-7) on 2 New Zealand White rabbits (male and female). In both the studies, the approx. 500 mg of test chemical was applied to the inner surface of the ears of 2 rabbits under an adhesive dressing for 24 hours and observations were made upto 7 days. At the end of the exposure period, the test substance was washed off with water and soap/ vegetable oil. No skin irritation was observed after 7 days. Hence the chemicals, 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) and 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 90-51-7) was considered to be non-irritant to rabbit skin.
Based on the available data for the target chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)and its structurally similar read across substances Disodium 5-acetylamino-4-hydroxy-3-(phenylazo)naphthalene-2,7 –disulphonate [CAS No:3567-69-9], 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) and 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 90-51-7),it can be concluded that chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)is not able to cause skin irritation and considered as not irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye irritation:
In different studies, the test chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) has been investigated to observe the potential for ocular irritation to a greater or lesser extent The studies are based on in vivo experiments in rabbits for target chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)and its structurally similar read across substances 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) and 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 90-51-7).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, ocular irritation potential was estimated for 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) . The substance 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)is considered to be not irritating to the eyes of New Zealand White rabbits.
The GREIM H., et.al. (Chemosphere Vol. 28, No. 12, pp. 2203.2236, 1994) and BG Chemie (TOXIKOLOGISCHE BEWERTUNGEN; TOXICOLOGICAL EVALUATION last updated: 06/2000) conducted an eye irritation study for structurally similar read across substance7-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) in rabbits. In this study, 50 mg 7-amino-4-hydroxy-2-naphthalenesulfonic acid (I acid) was instilled into the conjunctival sac of 2 animals and each were observed for 7 days. No eye irritation was observed after 7 days. Hence the chemical 7-amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) can be considered non-irritant to rabbit eyes.
The above results were further supported by another eye irritation study conducted by GREIM H., et.al. (Chemosphere Vol. 28, No. 12, pp. 2203.2236, 1994) and BG Chemie (TOXIKOLOGISCHE BEWERTUNGEN; TOXICOLOGICAL EVALUATION last updated: 06/2000) for structurally similar read across substance 6-Amino-4-hydroxy-2-naphthalene-6-sulfonic acid in rabbit. In this test, 50 mg of test chemical was instilled into the conjunctival sac of 2 rabbits. One hour after application, slight reddening was observed, which cleared up completely after 3 days. Hence, the substance 6-Amino-4-hydroxy-2 -naphthalene-6-sulfonic acid was considered to be not irritating to rabbit eyes.
Based on the available data for the target chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)and its structurally similar read across substances 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 87-02-5) and 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (CAS No: 90-51-7),it can be concluded that chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6)is not able to cause eye irritation and considered as not irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicate that the chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) is unlikely to cause skin and eye irritation. Hence 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid (CAS No:6259-53-6) can be classified under the category “Not Classified” for skin and eye as per CLP.
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