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EC number: 221-816-5 | CAS number: 3244-88-0
- 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 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated to be irritating(corrosive) to the skin of New Zealand White rabbits.
Based on the estimated results, 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate can be considered corrosive to skin and can be classified under the category “Category 1” as per CLP regulation.
Eye Irritation:
The ocular irritation potential of 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated to be irritating(corrosive) to the eyes of New Zealand White rabbits.
Based on the estimated results, 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate can be considered irritating(corrosive) to eyes and can be classified under the category “Category 1” as per CLP regulation.
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 v.3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: Acid fuchsin
- IUPAC name: 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate
- Molecular formula: C20H20N2O9S3
- Molecular weight: 585.5443 g/mole
- Smiles : C1(S(=O)(=O)O)=C\C(=C(\c2cc(S(=O)(=O)[O-])c(c(c2)C)N)c2cc(S(=O)(=O)[O-])c(cc2)N)C=CC1=N.[Na+].[Na+]
- Inchl: 1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29 ;;/h2-9,21H,22-23H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/b19-11+,21-14?;;
- Substance type: Organic
- Physical state: Solid crystalline powder (Olive to dark olive-green) - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- no data available
- Type of coverage:
- semiocclusive
- 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:
- 7 days
- Number of animals:
- 1
- Details on study design:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 7 d
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- Signs of irritation observed
- Interpretation of results:
- Category 1 (corrosive) based on GHS criteria
- Conclusions:
- 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated to be irritating(corrosive) to the skin of New Zealand White rabbits.
- Executive summary:
The dermal irritation potential of 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated to be irritating(corrosive) to the skin of New Zealand White rabbits.
Based on the estimated results, 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate can be considered corrosive to skin and can be classified under the category “Category 1” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 9 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 "l" )
and "m" )
and ("n"
and "o" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Alkene OR Alkyl arenes OR Allyl
OR Aniline OR Aryl OR Cycloalkene OR Dianilines OR Sulfonic acid by
Organic Functional groups ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkene OR Alkyl arenes OR Allyl
OR Cycloalkene OR Dianilines OR Overlapping groups OR Sulfonic acid by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aliphatic
Nitrogen, one aromatic attach [-N] OR Alkenyl sufide [-S=C] OR Aromatic
Carbon [C] OR Hydroxy, sulfur attach [-OH] OR Miscellaneous sulfide (=S)
or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Suflur {v+4} or {v+6}
OR Sulfinic acid [-S(=O)OH] OR Sulfonate, aromatic attach [-SO2-O] by
Organic functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Amine OR Aromatic compound OR
Primary amine OR Primary aromatic amine OR Sulfonic acid OR Sulfonic
acid derivative by Organic functional groups, Norbert Haider (checkmol)
ONLY
Domain
logical expression index: "e"
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: "f"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group C Surface
Tension > 62 mN/m by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "g"
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: "h"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All log Kow <
-3.1 OR (!Undefined)Group All log Kow > 9 OR (!Undefined)Group All
Melting Point > 200 C OR (!Undefined)Group CN Lipid Solubility < 0.4
g/kg OR Exclusion rules not met OR Group All log Kow < -3.1 OR Group All
log Kow > 9 OR Group CN Aqueous Solubility < 0.0001 g/L OR Group CN
Aqueous Solubility < 0.1 g/L OR Group CN log Kow > 4.5 OR Group CN log
Kow > 5.5 OR Group CN Melting Point > 180 C OR Group CN Molecular Weight
> 290 g/mol OR Group CN Molecular Weight > 540 g/mol OR Group CN Vapour
Pressure < 0.001 Pa OR Group CNS log Kow < -2 by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Alkene AND Alkyl arenes AND
Allyl AND Aniline AND Aryl AND Cycloalkene AND Dianilines AND Sulfonic
acid by Organic Functional groups ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Alkene AND Alkyl arenes AND
Allyl AND Aniline AND Aryl AND Cycloalkene AND Dianilines AND Sulfonic
acid by Organic Functional groups ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Alkene AND Alkyl arenes AND
Allyl AND Aniline AND Aryl AND Cycloalkene AND Dianilines AND Sulfonic
acid by Organic Functional groups ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Alkene AND Alkyl arenes AND
Allyl AND Aniline AND Aryl AND Cycloalkene AND Dianilines AND Sulfonic
acid by Organic Functional groups ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Alkene AND Alkyl arenes AND
Allyl AND Cycloalkene AND Dianilines AND Overlapping groups AND Sulfonic
acid by Organic Functional groups (nested) ONLY
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.41
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.29
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (corrosive)
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 v 3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: Acid fuchsin
- IUPAC name: 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate
- Molecular formula: C20H20N2O9S3
- Molecular weight: 585.5443 g/mole
- Smiles : C1(S(=O)(=O)O)=C\C(=C(\c2cc(S(=O)(=O)[O-])c(c(c2)C)N)c2cc(S(=O)(=O)[O-])c(cc2)N)C=CC1=N.[Na+].[Na+]
- Inchl: 1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29 ;;/h2-9,21H,22-23H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/b19-11+,21-14?;;
- Substance type: Organic
- Physical state: Solid crystalline powder (Olive to dark olive-green) - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or tissues and environmental conditions:
- no data available
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 0.1g
- Duration of treatment / exposure:
- single exposure
- Observation period (in vivo):
- 7 days
- Duration of post- treatment incubation (in vitro):
- no data available
- Number of animals or in vitro replicates:
- 6
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 7 d
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- Signs of irritation were observed
- Interpretation of results:
- Category 1 (irreversible effects on the eye) based on GHS criteria
- Conclusions:
- 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated to be irritating(corrosive) to the eyes of New Zealand White rabbits.
- Executive summary:
The ocular irritation potential of 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated to be irritating(corrosive) to the eyes of New Zealand White rabbits.
Based on the estimated results, 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate can be considered irritating(corrosive) to eyes and can be classified under the category “Category 1” 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" or "d" )
and ("e"
and (
not "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 (
not "r")
)
)
and "s" )
and ("t"
and "u" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Alkene OR Alkyl arenes OR Allyl
OR Aniline OR Aryl OR Cycloalkene OR Dianilines OR Sulfonic acid by
Organic Functional groups ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkene OR Alkyl arenes OR Allyl
OR Cycloalkene OR Dianilines OR Overlapping groups OR Sulfonic acid by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aliphatic
Nitrogen, one aromatic attach [-N] OR Alkenyl sufide [-S=C] OR Aromatic
Carbon [C] OR Hydroxy, sulfur attach [-OH] OR Miscellaneous sulfide (=S)
or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Suflur {v+4} or {v+6}
OR Sulfinic acid [-S(=O)OH] OR Sulfonate, aromatic attach [-SO2-O] by
Organic functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Amine OR Aromatic compound OR
Primary amine OR Primary aromatic amine OR Sulfonic acid OR Sulfonic
acid derivative by Organic functional groups, Norbert Haider (checkmol)
ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic
(PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition OR
Michael addition >> Polarised Alkenes-Michael addition OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated ketones OR SN1 OR SN1 >> Carbenium Ion Formation OR SN1 >>
Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs)
aromatic hydrocarbons-SN1 OR SN1 >> Nitrenium Ion formation OR SN1 >>
Nitrenium Ion formation >> Primary aromatic amine OR SN2 OR SN2 >>
Direct Acting Epoxides and related OR SN2 >> Direct Acting Epoxides and
related >> Epoxides by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Nucleophilic addition OR
Nucleophilic addition >> Addition to carbon-hetero double bonds OR
Nucleophilic addition >> Addition to carbon-hetero double bonds >>
Azomethyme type compounds OR SN2 OR SN2 >> Interchange reaction with
sulphur containing compounds OR SN2 >> Interchange reaction with sulphur
containing compounds >> Thiols and disulfide compounds by Protein
binding by OASIS v1.3
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Alkaline Earth
OR Halogens OR Metalloids OR Rare Earth OR Transition Metals by Groups
of elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Alkene AND Alkyl arenes AND
Allyl AND Aniline AND Aryl AND Cycloalkene AND Dianilines AND Sulfonic
acid by Organic Functional groups ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Alkene AND Alkyl arenes AND
Allyl AND Aniline AND Aryl AND Cycloalkene AND Dianilines AND Sulfonic
acid by Organic Functional groups ONLY
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Anilines (Hemolytic anemia with
methemoglobinemia) Rank A OR Anilines (Hepatotoxicity) Rank C OR
Benzene/ Naphthalene sulfonic acids (Less susceptible) Rank C OR
Perhexiline (Hepatotoxicity) Alert OR Valproic acid (Hepatotoxicity)
Alert by Repeated dose (HESS)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Amine AND Aromatic compound AND
Primary amine AND Primary aromatic amine AND Sulfonic acid AND Sulfonic
acid derivative by Organic functional groups, Norbert Haider (checkmol)
ONLY
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.39
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 20.1
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irreversible damage)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin Irritation:
In different studies, 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate has been investigated for potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with predicted data for target chemical and its closely related read across substances, Sodium xylenesulphonate [CAS: 1300-72-7] and Phenyl Chloroformate [CAS: 1885-14-9]. The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the dermal irritation potential was estimated for2-amino-5-[(4-amino-3 -sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate . 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3 -methylbenzenesulfonatewas estimated to beirritating(corrosive) to the skin of New Zealand White rabbits.
This result is supported by the experimental study summarized in International Journal of Toxicology, 30, no. 6_suppl (2011): 270S-283S; for the closely related read across substance, Sodium xylenesulphonate [CAS: 1300-72-7]. 0.5 ml of 40% solution Sodium xylenesulfonate was applied to rabbit and observed for signs of irritation till 24 hours. Slight irritation was observed in the rabbits. Hence, Sodium xylenesulfonate can be considered to be slightly irritating to rabbit skin.
The above studies are supported by the experimental study summarized in American Industrial Hygiene Association Journal, Volume 30, 1969 - Issue 5, Pages 470-476; for the closely related read across substance, Phenyl Chloroformate [CAS: 1885-14-9]. Primary skin irritation on rabbits was recorded in a 10-grade ordinal series and was based upon the severest reaction that develops on the clipped abdominal skin of each of five albino rabbits within 24 hours of the uncovered application of 0.01 ml of undiluted sample. Grade 1 indicates no irritation and Grade 2 the least visible capillary injection from the undiluted chemical. Grade 6 indicates necrosis when undiluted and Grade 10 indicates necrosis from a 0.01% solution. Primary Irritation score after 24 hours for Phenyl Chloroformate was Grade 6.
Based on this grade, Phenyl Chloroformate can be considered moderately irritating to rabbit skin.
Based on the available data for the target and read across substances and applying the weight of evidence approach, 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate can be considered to be irritating to skin.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2”.
Eye Irritation:
In different studies, 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate has been investigated for potential for ocular irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with predicted data for target chemical and its closely related read across substances, Aminoiminomethanesulphinic acid [CAS: 1758-73-2] and Methanesulfonic acid [CAS: 75-75-2]. The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the ocular irritation potential was estimated for2-amino-5-[(4-amino-3 -sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate . 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3 -methylbenzenesulfonatewas estimated to beirritating(corrosive) to the eyes of New Zealand White rabbits.
This result is supported by the experimental study summarized in High Production Volume Information System (HPVIS) for Methanesulfonic acid (75‐75‐2); Available from November 20, 2009; for the closely related read across substance, Aminoiminomethanesulphinic acid [CAS: 1758-73-2]. The study was performed according to procedures published by the FDA (1963) and Draize and Kelley (1952).100 mg of the test compound was instilled into everted lower lid of one eye of 6 New Zealand White rabbits. The treated eyes were observed for signs of irritation from 24 hours till 7 days. After 24 hours slight opacity of the cornea, slight iritis and moderate redness and slight to severe swelling of the conjunctivae were noted. In the course of the 7 day observation period some of these effects recovered partly or completely. However, at 7 days slight to severe cornea opacity and vascularization of the cornea were observed in 4 rabbits, ulcus cornea in 2 rabbits, slight iritis in 3 rabbits and slight lesions of the conjunctivae in all rabbits. Hence, Aminoiminomethanesulphinic acid can be considered to be corrosive to rabbit eyes.
These above results are supported by the experimental study summarized in High Production Volume Information System (HPVIS) for Methanesulfonic acid (75-75-2); Available from November 20, 2009; for the closely related read across substance, Methanesulphonic Acid [CAS: 75-75-2]. 0.1ml of Methane sulfonic acid was instilled into the eyes of 2 albino rabbits for 0.333-0.5 minutes. One of the two animals had a rinse of the treated eye with flowing water initiated 20 to 30 seconds after instillation and continued for one minute. The washed and unwashed eyes were observed for signs of irritation at 10 min, 1h, 2h, 3h, 4h, 24h, 48h, 72h, 4 days, 5 days, 6 days and 7 days.
Each instillation of Methane Sulfonic acid caused excruciating pain. The reactions in the unwashed eyes occurred immediately in all the ocular tissues. The conjunctivae became completely necrotic (white) without evident swelling. The iris was dilated with ragged edges and failed to react to light. The cornea was opacified completely within 24 hours. The reactions of the washed eyes did not differ significantly from that of unwashed eyes.
Hence, Based on the above reactions Methane sulfonic acid was considered to be extremely corrosive to eyes.
Based on the available data for the target and read across substances and applying the weight of evidence approach, 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate can be considered to be irritating(corrosive) to eyes.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 1(irreversible damage to eyes)”.
Justification for classification or non-classification
Available data for 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate suggests that it is likely to cause severe irritation to eyes and skin.
2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate can be classified under the category “Category 1” as per CLP regulation.
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