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EC number: 229-291-4 | CAS number: 6470-17-3
- 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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was assessed in various experimental studies which were conducted on rabbits for target chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) and its structurally similar read across substances1,3-Phenylenediamine-4-sulfonic (CAS No: 88-63-1) and 2-Chloro-p-toluidine-5-sulfonic acid (CAS No: 88-51-7). The predicted data using QSAR 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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) is able to cause skin irritation and thus considered as irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2”.
Eye irritation
An ocular irritation potential of target chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was assessedin various experimental studies which were conducted on rabbits for target chemical5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) 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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) 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 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material : 5-amino-2-methoxybenzene-1-sulfonic acid
- Common name : 5-Amino-2-methoxybenzenesulphonic acid
- Molecular formula : C7H9NO4S
- Molecular weight : 203.217 g/mol
- Smiles notation : O=S(=O)(O)c1c(OC)ccc(N)c1
- InChl : 1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- 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:
- shaved
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 72 hours
- Number of animals:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- Skin irritating effctes were observed in treated rabbits.
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
- The chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) can be considered to be irritating to skin.
- Executive summary:
The dermal irritation potential of 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated using OECD QSAR toolbox version 3.4 with logPow as the primary descriptor. The chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) can be considered to be irritating to skin and can be classified under the category ˋ Category 2 (irritant)’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((((((((((((((("a"
or "b" or "c" )
and ("d"
and (
not "e")
)
)
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and ("t"
and (
not "u")
)
)
and ("v"
and (
not "w")
)
)
and ("x"
and (
not "y")
)
)
and ("z"
and (
not "aa")
)
)
and ("ab"
and (
not "ac")
)
)
and ("ad"
and (
not "ae")
)
)
and ("af"
and (
not "ag")
)
)
and ("ah"
and (
not "ai")
)
)
and ("aj"
and (
not "ak")
)
)
and ("al"
and (
not "am")
)
)
and ("an"
and (
not "ao")
)
)
and ("ap"
and (
not "aq")
)
)
and ("ar"
and (
not "as")
)
)
and ("at"
and (
not "au")
)
)
and "av" )
and "aw" )
and ("ax"
and (
not "ay")
)
)
and ("az"
and (
not "ba")
)
)
and "bb" )
and ("bc"
and "bd" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aromatic amines AND Sulfonic
acids or their salts by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "e"
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: "f"
Referential
boundary: The
target chemical should be classified as Aromatic amines AND Sulfonic
acids or their salts by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Phenols by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Aromatic amines AND Sulfonic
acids or their salts by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Ketones by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "j"
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 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: "k"
Referential
boundary: The
target chemical should be classified as Exclusion rules not met by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "l"
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 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: "m"
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: "n"
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 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: "o"
Referential
boundary: The
target chemical should be classified as Group CN Vapour Pressure < 0.001
Pa OR Group CNHal Aqueous Solubility < 0.001 g/L by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "p"
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 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: "q"
Referential
boundary: The
target chemical should be classified as Group CN Melting Point > 180 C
OR Group CNHal Aqueous Solubility < 0.1 g/L by Skin irritation/corrosion
Exclusion rules by BfR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Alkali Earth by Groups of
elements
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Azo OR Benzamide by Organic
Functional groups
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Benzothiazole/ Benzoisothiazole
by Organic Functional groups
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Carboxylic acid OR Carboxylic
acid ester OR Cycloalkane by Organic Functional groups
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Sulfonamide OR Sulfone by
Organic Functional groups
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Sulfide by Organic Functional
groups
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as Aminoaniline, para by Organic
Functional groups
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "ag"
Referential
boundary: The
target chemical should be classified as Aminoaniline, meta by Organic
Functional groups
Domain
logical expression index: "ah"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "ai"
Referential
boundary: The
target chemical should be classified as Alkyl halide by Organic
Functional groups
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "ak"
Referential
boundary: The
target chemical should be classified as Alkoxy by Organic Functional
groups
Domain
logical expression index: "al"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "am"
Referential
boundary: The
target chemical should be classified as Alkene by Organic Functional
groups
Domain
logical expression index: "an"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Hydroxy,
sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND
Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND
Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA)
Domain
logical expression index: "ao"
Referential
boundary: The
target chemical should be classified as Amino, aliphatic attach [-N<] by
Organic functional groups (US EPA)
Domain
logical expression index: "ap"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Hydroxy,
sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND
Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND
Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA)
Domain
logical expression index: "aq"
Referential
boundary: The
target chemical should be classified as Chlorine, olefinic attach [-Cl]
by Organic functional groups (US EPA)
Domain
logical expression index: "ar"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Hydroxy,
sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND
Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND
Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA)
Domain
logical expression index: "as"
Referential
boundary: The
target chemical should be classified as Nitrogen, two or tree olefinic
attach [>N-] by Organic functional groups (US EPA)
Domain
logical expression index: "at"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Hydroxy,
sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND
Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND
Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA)
Domain
logical expression index: "au"
Referential
boundary: The
target chemical should be classified as Tertiary Carbon by Organic
functional groups (US EPA)
Domain
logical expression index: "av"
Similarity
boundary:Target:
COc1ccc(N)cc1S(O)(=O)=O
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "aw"
Similarity
boundary:Target:
COc1ccc(N)cc1S(O)(=O)=O
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "ax"
Referential
boundary: The
target chemical should be classified as No alert found by DNA alerts for
AMES, MN and CA by OASIS v.1.3
Domain
logical expression index: "ay"
Referential
boundary: The
target chemical should be classified as Radical >> Radical mechanism via
ROS formation (indirect) >> Nitroaniline Derivatives by DNA alerts for
AMES, MN and CA by OASIS v.1.3
Domain
logical expression index: "az"
Referential
boundary: The
target chemical should be classified as Acidic [90,100] AND Basic [0,10)
by Ionization at pH = 9
Domain
logical expression index: "ba"
Referential
boundary: The
target chemical should be classified as Acidic [0,10) by Ionization at
pH = 9
Domain
logical expression index: "bb"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 2) ONLY
Domain
logical expression index: "bc"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.03
Domain
logical expression index: "bd"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.28
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (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 : 5-amino-2-methoxybenzene-1-sulfonic acid
- Common name : 5-Amino-2-methoxybenzenesulphonic acid
- Molecular formula : C7H9NO4S
- Molecular weight : 203.217 g/mol
- Smiles notation : O=S(=O)(O)c1c(OC)ccc(N)c1
- InChl : 1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- 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):
- 72 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:
- 72 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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated to be not irritating into the eyes of New Zealand White rabbits. Based on the estimated result 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) can be considered to be not irritating to eye.
- Executive summary:
The ocular irritation potential of 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated using OECD QSAR toolbox version 3.4 with logPow as the primary descriptor. The chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated to be not irritating into the eyes of New Zealand White rabbits. Based on the estimated result 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) 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 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a"
or "b" or "c" )
and ("d"
and (
not "e")
)
)
and "f" )
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and "q" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Non binder, impaired OH or 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: "f"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Aromatic Amine Type Compounds by
Oncologic Primary Classification
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Halogenated Aromatic Hydrocarbon
Type Compounds OR Not classified OR Phenol Type Compounds by Oncologic
Primary Classification
Domain
logical expression index: "i"
Similarity
boundary:Target:
COc1ccc(N)cc1S(O)(=O)=O
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Amine AND
Aromatic compound AND Ether AND Primary amine AND Primary aromatic amine
AND Sulfonic acid AND Sulfonic acid derivative by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aryl halide by Organic
functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Amine AND
Aromatic compound AND Ether AND Primary amine AND Primary aromatic amine
AND Sulfonic acid AND Sulfonic acid derivative by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Carboxylic acid ester OR
Carboxylic acid prim. amide by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Amine AND
Aromatic compound AND Ether AND Primary amine AND Primary aromatic amine
AND Sulfonic acid AND Sulfonic acid derivative by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Heterocyclic compound by Organic
functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.99
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -1.03
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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) and its structurally similar read across substances 1,3-Phenylenediamine-4-sulfonic (CAS No: 88-63-1) and 2-Chloro-p-toluidine-5-sulfonic acid (CAS No: 88-51-7).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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3). The substance 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) is considered to be irritating to the skin of rabbits.
The Richard J. Lewis, Sr.{Sax’s Dangerous Properties of Industrial Materials, 12th Edition; 2012} conducted a skin irritation study of read across chemical 1,3-Phenylenediamine-4-sulfonic acid (CAS No: 88-63-1) that supports the above mentioned result. About 500 mg of test substance was applied on to the skin of rabbit which produced moderate irritation effects. Therefore, the substance 1,3-Phenylenediamine-4-sulfonic (CAS No: 88-63-1) acid was considered to be moderately irritant to rabbit skin.
The above results were further supported by the experimental study reported by U.S. Environmental Protection Agency {U.S. Environmental Protection Agency Hazard Characterization Document September, 2014} of read across substance 2-Chloro-p-toluidine-5-sulfonic acid (CAS No: 88-51-7) in 6 male albino rabbits. Each albino rabbits (6 males) were exposed to test chemical in saline via the dermal route to intact skin at 500 mg under occlusive conditions for 24 hours and were observed until 48 hours. At 24 hours, slight to mild erythema was seen in 3 animals and at 48 hours, slight erythema was seen in 1 animal. Hence 2-Chloro-p-toluidine-5-sulfonic acid (CAS No: 88-51-7) can be considered as mildly irritating to the rabbits’ skin.
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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) is able to cause skin irritation and considered as irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2”.
Eye irritation:
In different studies, the test chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) 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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3)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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3). The substance 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) is considered to be not irritating to the eyes of 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 result was 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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3)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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) 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 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicate that the chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) is likely to cause skin irritation but unable to cause eye damage. Hence 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) can be classified under the category “Category 2” for skin and “Not Classified” for eye as per CLP.
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