5-amino-2-methoxybenzenesulphonic acid

Endpoint summary

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

Reference

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.

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

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.

Endpoint conclusion

Endpoint conclusion:

adverse effect observed (irritating)

Eye irritation

Link to relevant study records

Reference

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.

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

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.

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.