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EC number: 278-093-4 | CAS number: 75173-68-1
Endpoint summary
Administrative data
Description of key information
Skin irritation
The dermal irritation potential of target chemical [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) was assessedin various experimental studies which were conducted on rabbits and rats for target chemical[μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) and its structurally similar read across substancesTetra sodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate[CAS:2519 -30 -4]andaluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex {CAS No: 15790-07-5}. 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 [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) is unable to cause skin irritation and thus considered as not irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye irritation
An ocular irritation potential of target chemical [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) was assessedin various experimental studies which were conducted on rabbits for target chemical[μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) and its structurally similar read across substance1,3 -Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt (Acid Red 18) [2611-82-7] andaluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5), Disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate [CAS: 4548-53-2]. 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 [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) 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
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material : [μ-[[3,3'-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt
- Molecular weight : 1101.8036 g/mol
- Smiles notation : [Na+].[Na+].[Na+].[Na+].O=N(=Nc1ccc2N=Nc3c4O[Cu-2]5(Oc2c1)OS(=O)(=O)c6ccc4c(c6)cc3S(=O)(=O)O5)c7ccc8N=Nc9c%10O[Cu-2]%11(Oc8c7)OS(=O)(=O)c%12ccc%10c(c%12)cc9S(=O)(=O)O%11
- InChl : 1S/C32H22N6O17S4.2Cu.4Na/c39-25-13-17(1-7-23(25)33-35-29-27(58(50,51)52)11-15-9-19(56(44,45)46)3-5-21(15)31(29)41)37-38(43)18-2-8-24(26(40)14-18)34-36-30-28(59(53,54)55)12-16-10-20(57(47,48)49)4-6-22(16)32(30)42;;;;;;/h1-14,39-42H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;;;/q;2*+2;4*+1/p-8/b35-33+,36-34+,38-37+;;;;;;
- Substance type : Organic
- Physical state : Liquid - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- occlusive
- Preparation of test site:
- clipped
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 24 hours
- Observation period:
- 72 hours
- Number of animals:
- No data available
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No skin irritation was observed in treated rabbits.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The chemical [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) was estimated to be not irritating to the skin of New Zealand White rabbits. Based on the estimated result [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) can be considered to be not irritating to skin.
- Executive summary:
The dermal irritation potential of [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) was estimated to be not irritating to the skin of New Zealand White rabbits. Based on the estimated result [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) can be considered to be not irritating to skin and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 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 (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and ("y"
and "z" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anion OR Aromatic compound OR
Azo compound OR Cation OR Hydroxy compound OR Phenol OR Sulfonic acid
derivative by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
OR Aliphatic Nitrogen, one aromatic attach [-N] OR Aromatic Carbon [C]
OR Azo [-N=N-] OR Hydroxy, aromatic attach [-OH] OR Miscellaneous
sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen,
one aromatic attach [-O-] OR Suflur {v+4} or {v+6} OR Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aryl OR Azo OR Azoxy OR Fused
carbocyclic aromatic OR Overlapping groups OR Phenol OR Sulfonic acid by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aryl OR Azo OR Azoxy OR Fused
carbocyclic aromatic OR Naphtalene OR Phenol OR Sulfonic acid by Organic
Functional groups 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 >> Alkyl phenols 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 >> Hydroquinones 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 >> Aromatic azo OR SN1 >> Nitrenium Ion
formation >> Primary aromatic amine OR SN1 >> Nitrenium Ion formation >>
Tertiary aromatic amine 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, non cyclic structure
OR Non binder, without OH or NH2 group OR Strong binder, OH 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 Very strong binder, OH group OR
Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Eye
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Organic sulphonic salts by Eye
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Azoxy AND Fused
carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by
Organic Functional groups
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as tert-Butyl by Organic Functional
groups
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Azoxy AND Fused
carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by
Organic Functional groups
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Thiophosphate by Organic
Functional groups
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Azoxy AND Fused
carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by
Organic Functional groups
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Phosphate ester OR Phosphite
ester OR Phosphonate ester OR Pyrimidine by Organic Functional groups
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Azoxy AND Fused
carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by
Organic Functional groups
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as No functional group found by
Organic Functional groups
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Azoxy AND Fused
carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by
Organic Functional groups
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Melamine by Organic Functional
groups
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Azoxy AND Fused
carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by
Organic Functional groups
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Fused saturated heterocycles by
Organic Functional groups
Domain
logical expression index: "y"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.262
Domain
logical expression index: "z"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.14
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR toolbox version 3.3 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 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material : [μ-[[3,3'-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt
- Molecular weight : 1101.8036 g/mol
- Smiles notation : [Na+].[Na+].[Na+].[Na+].O=N(=Nc1ccc2N=Nc3c4O[Cu-2]5(Oc2c1)OS(=O)(=O)c6ccc4c(c6)cc3S(=O)(=O)O5)c7ccc8N=Nc9c%10O[Cu-2]%11(Oc8c7)OS(=O)(=O)c%12ccc%10c(c%12)cc9S(=O)(=O)O%11
- InChl : 1S/C32H22N6O17S4.2Cu.4Na/c39-25-13-17(1-7-23(25)33-35-29-27(58(50,51)52)11-15-9-19(56(44,45)46)3-5-21(15)31(29)41)37-38(43)18-2-8-24(26(40)14-18)34-36-30-28(59(53,54)55)12-16-10-20(57(47,48)49)4-6-22(16)32(30)42;;;;;;/h1-14,39-42H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;;;/q;2*+2;4*+1/p-8/b35-33+,36-34+,38-37+;;;;;;
- Substance type : Organic
- Physical state : Liquid - 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:
- No data available
- Duration of treatment / exposure:
- single application
- Observation period (in vivo):
- 72 hours
- Number of animals or in vitro replicates:
- No data available
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No eye irritation was observed.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The chemical [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) was estimated to be not irritating into the eyes of White Vienna rabbits. Based on the estimated result [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ as per CLP regulation.
- Executive summary:
The ocular irritation potential of [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) was estimated to be not irritating into the eyes of White Vienna rabbits. Based on the estimated result [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) 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" 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 (
not "p")
)
)
and "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 "ae" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anion OR Aromatic compound OR
Azo compound OR Cation OR Hydroxy compound OR Phenol OR Sulfonic acid
derivative by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
OR Aliphatic Nitrogen, one aromatic attach [-N] OR Aromatic Carbon [C]
OR Azo [-N=N-] OR Hydroxy, aromatic attach [-OH] OR Miscellaneous
sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen,
one aromatic attach [-O-] OR Suflur {v+4} or {v+6} OR Sulfonate,
aromatic attach [-SO2-O] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aryl OR Azo OR Azoxy OR Fused
carbocyclic aromatic OR Overlapping groups OR Phenol OR Sulfonic acid by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aryl OR Azo OR Azoxy OR Fused
carbocyclic aromatic OR Naphtalene OR Phenol OR Sulfonic acid by Organic
Functional groups 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 >> Alkyl phenols 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 >> Hydroquinones 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 >> Aromatic azo OR SN1 >> Nitrenium Ion
formation >> Primary aromatic amine OR SN1 >> Nitrenium Ion formation >>
Tertiary 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 (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group All Melting Point > 200 C AND Group All
Molecular Weight > 650 g/mol AND Group CNS Aqueous Solubility < 0.006
g/l AND Group CNS Melting Point > 200 C AND Group CNS Melting Point > 50
C AND Group CNS Molecular Weight > 620 g/mol by Eye irritation/corrosion
Exclusion rules by BfR
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Aqueous
Solubility < 0.000005 g/L OR (!Undefined)Group All Aqueous Solubility <
0.00002 g/L OR (!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 Aqueous Solubility < 0.000005 g/L OR Group All Aqueous
Solubility < 0.00002 g/L OR Group All log Kow < -3.1 OR Group All log
Kow > 9 OR Group C Aqueous Solubility < 0.0001 g/L OR Group C Aqueous
Solubility < 0.0005 g/L OR Group C Melting Point > 55 C OR Group C
Molecular Weight > 380 g/mol OR Group CN Aqueous Solubility < 0.1 g/L OR
Group CN log Kow > 4.5 OR Group CN Molecular Weight > 290 g/mol OR Group
CNS log Kow < -2 OR Group CNS log Kow > 1.5 by Eye irritation/corrosion
Exclusion rules by BfR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Eye
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Organic sulphonic salts by Eye
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by in vitro
mutagenicity (Ames test) alerts by ISS
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Acyl halides OR
alpha,beta-unsaturated carbonyls OR Hydrazine by in vitro mutagenicity
(Ames test) alerts by ISS
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Alkali Earth AND Non-Metals by
Groups of elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Alkaline Earth by Groups of
elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup OR
Non binder, impaired OH or NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "q"
Similarity
boundary:Target:
Oc1cc(N=N(=O)c2ccc(N=Nc3c(S(=O)(=O)O{-}.[Na]{+})cc4cc(S(=O)(=O)O{-}.[Na]{+})ccc4c3O)c(O)c2)ccc1N=Nc1c(S(=O)(=O)O{-}.[Na]{+})cc2cc(S(=O)(=O)O{-}.[Na]{+})ccc2c1O
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Phenols (Mucous membrane
irritation) Rank C by Repeated dose (HESS)
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Tamoxifen (Hepatotoxicity) Alert
by Repeated dose (HESS)
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert OR Aliphatic nitriles (Hepatotoxicity) Rank B OR
Aromatic hydrocarbons (Liver enzyme induction) Rank C by Repeated dose
(HESS)
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Azoxy AND Fused
carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by
Organic Functional groups
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, tertiary by
Organic Functional groups
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Azoxy AND Fused
carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by
Organic Functional groups
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Alkene by Organic Functional
groups
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Azoxy AND Fused
carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by
Organic Functional groups
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Alkoxy by Organic Functional
groups
Domain
logical expression index: "ad"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.178
Domain
logical expression index: "ae"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.89
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemical[μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits and rats for target chemical[μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) and its structurally similar read across substancesTetra sodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate[CAS:2519 -30 -4]andaluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex {CAS No: 15790-07-5} .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, the skin irritation potential was estimated for test chemical[μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) . The chemical [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) is estimated to be not irritating to skin of New Zealand White rabbits.
A study was designed and conducted by Sustainability Support Services (Europe) AB, 2017 to determine the dermal reaction profile of read across substance Tetra sodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate[CAS:2519 -30 -4] in Sprague Dawley rats. The study was performed as per OECD Guidelines 402 and complying to the GLP procedures. Ten rats (5 male and 5 female) were used for conducting dermal irritation /corrosion study. The test item Tetra sodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate was applied to shorn skin of 5 male and 5 female animals at 2000 mg/kg body weight. Administration of the test item at 2000 mg/kg did not result in any skin reaction at the site of application during the study period of 14 days. Administration of the test item did not result in any signs of toxicity and mortality during the study period of 14 days. Animals exhibited normal body weight gain through the study period of 14 days. Gross pathological examination did not reveal any abnormalities attributable to the treatment. The overall irritation score of the substance was determined to be 0 and no erythema and edema (skin irritation) were found at the end of 14 days observation period after patch removal. Hence, it was concluded that Tetra sodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate was Non-Irritating to the skin of Sprague Dawley rats under the experimental conditions tested.
The above results were further supported by another dermal irritation study conducted by Sustainability Support Services (Europe) AB, 2017 on three New Zealand white rabbits in accordance with OECD 404 to assess the irritation parameter of read across chemical aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex {CAS No: 15790-07-5} that supported the above mentioned results. The animals were prepared 24 hours prior to application of test product. The furs from the dorsal area of trunk of animals were removed with electric clippers exposing an area measuring approximately 6 cm2 of body surface area of animal. The care was taken such that abrasion penetrated the Stratum corneum only and not dermis. 500gm (0.5g) of test compound was applied on a small area (approximately 6 cm2) of intact skin site. Each site of application was covered with impervious dressing which was secured in position with adhesive tape. The intact skin site of application of each animal was observed for signs of erythema and oedema at 60 min., 24, 48 and 72 hours after application and the responses were scored according to Draize method. The Primary Irritation Index (PII) foraluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex {CAS No: 15790-07-5}after 14 days of observation was 0.0.Alsoaluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex {CAS No: 15790-07-5}Bdid not produce pain and any clinical signs of toxicity throughout the examination period of 14 days. Hence, under the test conditions, aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex {CAS No: 15790-07-5}can be concluded to be not irritating to New Zealand White rabbit 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 [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) is unable to cause skin irritation and considered as not irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye irritation:
In different studies,the test chemical[μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) has been investigated for potential for ocular irritationto a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemical[μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) andits structurally similar read across substance1,3 -Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt (Acid Red 18) [2611-82-7] andfunctionally similar read across substancesaluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5), Disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate [CAS: 4548-53-2].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, the eye irritation potential was estimated for test chemical[μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) . The chemical [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) is estimated to be not irritating to eye of New Zealand White rabbits.
An ocular irritation study was conducted by Sustainability Support Services (Europe) AB, 2017 on three New Zealand white rabbits in accordance with OECD 405 to assess the irritation parameter of read across chemical aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5). About 0.1g of the undiluted test chemical was instilled in the conjunctival sac of rabbits after gently pulling the lower lid away from the eyeball. The other eye which remained untreated served as a control. The ocular lesions were evaluated at 1, 24, 48 and 72 hours after the treatment. The grades of ocular reactions (conjunctiva, cornea and iris) were recorded at each observation. To determine the reversibility of the effect the animals were observed normally for 21 days. Any other lesions in the eye viz pannus, staining were observed and scored accordingly. Examination of reactions was facilitated by use of biomicroscope and hand slit lamp. Individual animal weights before and during the study was observed. The overall irritation index of aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5) was 0.0 after 72 hours. Also aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5) did not produce any clinical signs of toxicity throughout the examination period of 21 days. Hence, under the test conditions, aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (CAS No: 15790-07-5)can be concluded to be not irritating to New Zealand White rabbit eyes.
These results were supported by the experimental study summarized in Scientific Committee on Cosmetology (seventh series), 1988; for the structurally similar read across substance, Disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate [CAS: 4548-53-2]. Ponceau SX 5% in formulation was instilled into the eyes of rabbits and observed for signs of irritation (duration not mentioned). Ponceau SX 5% in formulation did not cause any irritation to rabbit eyes. Hence, Ponceau SX can be considered not irritating to rabbit eyes.
The above results were further supported by the experimental study summarized in THE SCIENTIFIC COMMITTEE ON COSMETIC PRODUCTS AND NON-FOOD PRODUCTS (SCCNFP), last updated 23 April 2004; for the structurally similar read across substance, 1,3 -Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt (Acid Red 18) [2611-82-7]. The ocular irritation was assessed by determining the Cytotoxicity in the neutral red uptake assay (NRU) on human keratinocytes with the modification that human keratinocytes of the HaCaT cell line were used. The treatment was performed in serum-free culture medium. Doses from 681 – 10000 μg/ml [1% in water] were applied together with appropriate controls. Two independent NRU assays with identical doses were performed. No NRU-50 value could be determined from the cytotoxicity curves as the viability was still 61% in the first assay and 70% in the second, so the NRU-50 was reported to be > 10000 μg/ml. Hence, Acid red 18 can be considered not irritating to Human Keratinocytes in the neutral red uptake assay.
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 [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) is unable 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 [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) and its structurally and functionally similar read across substances were observed in various studies. The results obtained from these studies indicate that the chemical [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) is unlikely to cause skin and eye irritation. Hence [μ-[[3,3’-[azoxybis[(2-hydroxy-p-phenylene)azo]]bis[4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicopper, tetrasodium salt (CAS No: 75173-68-1) can be classified under the category “Not Classified” for skin and eye as per CLP.
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