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EC number: 239-888-1 | CAS number: 15790-07-5 This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 15985:1.
- 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
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
Prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, gene mutation was predicted for Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (15790-07-5). The study assumed the use of Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with and without S9 metabolic activation system. Aluminium, 6-hydroxy-5- [(4-sulfophenyl) azo]-2-naphthalenesulfonic acid complex was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence and absence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro. Based on the predicted result it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- 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 the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: As mention below
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3, 2017
- GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- - Name of test material : aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex
- Molecular formula : C16H9AlN2O7S2
- Molecular weight : 432.368 g/mol
- Smiles notation : c12c(cc(S(=O)(=O)[O-])cc2)ccc(c1\N=N\c1ccc(S(=O)(=O)[O-])cc1)[O-].[Al+3]
- InChl : 1S/C16H12N2O7S2.Al/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;/h1-9,19H,(H,20,21,22)(H,23,24,25);/q;+3/p-3/b18-17+;
- Substance type: Organic
- Physical state: Solid - Target gene:
- Histidine
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and TA 102
- Details on mammalian cell type (if applicable):
- Not applicable
- Additional strain / cell type characteristics:
- not specified
- Cytokinesis block (if used):
- not specified
- Metabolic activation:
- with
- Metabolic activation system:
- S9 metabolic activation
- Test concentrations with justification for top dose:
- not specified
- Vehicle / solvent:
- not specified
- Untreated negative controls:
- not specified
- Negative solvent / vehicle controls:
- not specified
- True negative controls:
- not specified
- Positive controls:
- not specified
- Details on test system and experimental conditions:
- not specified
- Rationale for test conditions:
- not specified
- Evaluation criteria:
- Prediction was done considering a dose dependent increase in the number of revertants/plate.
- Statistics:
- not specified
- Species / strain:
- S. typhimurium, other:
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Additional information on results:
- not specified
- Remarks on result:
- other: No mutagenic effect were observed.
- Conclusions:
- Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (15790-07-5) was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, gene mutation was predicted for Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (15790-07-5). The study assumed the use of Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with S9 metabolic activation system. Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro. Based on the predicted result it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Gene mutation"
Estimation method: Takes highest mode value from the 13 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 ("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 Acid moiety OR Not classified OR
Phenols by Aquatic toxicity classification by ECOSAR ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
OR Strong binder, OH group by Estrogen Receptor Binding ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Cation OR Mixture by Substance
Type ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Flavonoids OR AN2 >> Michael-type addition, quinoid
structures >> Quinones OR AN2 >> Carbamoylation after isocyanate
formation OR AN2 >> Carbamoylation after isocyanate formation >>
Hydroxamic Acids OR AN2 >> Carbamoylation after isocyanate formation >>
N-Hydroxylamines OR AN2 >> Formation of adducts similar to Schiff bases
OR AN2 >> Formation of adducts similar to Schiff bases >> Alkylnitrites
OR AN2 >> Michael-type addition on alpha, beta-unsaturated carbonyl
compounds OR AN2 >> Michael-type addition on alpha, beta-unsaturated
carbonyl compounds >> Four- and Five-Membered Lactones OR AN2 >>
Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds OR
AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl
compounds >> alpha, beta-Unsaturated Aldehydes OR AN2 >> Nucleophilic
addition to metabolically formed thioketenes OR AN2 >> Nucleophilic
addition to metabolically formed thioketenes >> Haloalkene Cysteine
S-Conjugates OR AN2 >> Schiff base formation OR AN2 >> Schiff base
formation >> alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base
formation >> Dicarbonyl compounds OR AN2 >> Schiff base formation >>
Polarized Haloalkene Derivatives OR AN2 >> Schiff base formation by
aldehyde formed after metabolic activation OR AN2 >> Schiff base
formation by aldehyde formed after metabolic activation >> Geminal
Polyhaloalkane Derivatives OR AN2 >> Shiff base formation after aldehyde
release OR AN2 >> Shiff base formation after aldehyde release >>
Specific Acetate Esters OR AN2 >> Shiff base formation for aldehydes OR
AN2 >> Shiff base formation for aldehydes >> Geminal Polyhaloalkane
Derivatives OR AN2 >> Shiff base formation for aldehydes >> Haloalkane
Derivatives with Labile Halogen OR AN2 >> Thioacylation via nucleophilic
addition after cysteine-mediated thioketene formation OR AN2 >>
Thioacylation via nucleophilic addition after cysteine-mediated
thioketene formation >> Haloalkenes with Electron-Withdrawing Groups OR
AN2 >> Thioacylation via nucleophilic addition after cysteine-mediated
thioketene formation >> Polarized Haloalkene Derivatives OR Non-covalent
interaction OR Non-covalent interaction >> DNA intercalation OR
Non-covalent interaction >> DNA intercalation >> Acridone, Thioxanthone,
Xanthone and Phenazine Derivatives OR Non-covalent interaction >> DNA
intercalation >> Amino Anthraquinones OR Non-covalent interaction >> DNA
intercalation >> Aminoacridine DNA Intercalators OR Non-covalent
interaction >> DNA intercalation >> Coumarins OR Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
Side Chain OR Non-covalent interaction >> DNA intercalation >>
Fused-Ring Nitroaromatics OR Non-covalent interaction >> DNA
intercalation >> Fused-Ring Primary Aromatic Amines OR Non-covalent
interaction >> DNA intercalation >> Quinones OR Non-specific OR
Non-specific >> Incorporation into DNA/RNA, due to structural analogy
with nucleoside bases OR Non-specific >> Incorporation into DNA/RNA,
due to structural analogy with nucleoside bases >> Specific Imine
and Thione Derivatives OR Radical OR Radical >> DNA base deamination
after radical decomposition OR Radical >> DNA base deamination after
radical decomposition >> Alkylnitrites OR Radical >> Generation of
reactive oxygen species OR Radical >> Generation of reactive oxygen
species >> N,N-Dialkyldithiocarbamate Derivatives OR Radical >>
Generation of reactive oxygen species >> Thiols OR Radical >> Generation
of ROS by glutathione depletion (indirect) OR Radical >> Generation of
ROS by glutathione depletion (indirect) >> Haloalkanes Containing
Heteroatom OR Radical >> Radical mechanism by ROS formation OR Radical
>> Radical mechanism by ROS formation (indirect) or direct radical
attack on DNA OR Radical >> Radical mechanism by ROS formation
(indirect) or direct radical attack on DNA >> Organic Peroxy Compounds
OR Radical >> Radical mechanism by ROS formation >> Acridone,
Thioxanthone, Xanthone and Phenazine Derivatives OR Radical >> Radical
mechanism via ROS formation (indirect) OR Radical >> Radical mechanism
via ROS formation (indirect) >> Amino Anthraquinones OR Radical >>
Radical mechanism via ROS formation (indirect) >> C-Nitroso Compounds OR
Radical >> Radical mechanism via ROS formation (indirect) >> Conjugated
Nitro Compounds OR Radical >> Radical mechanism via ROS formation
(indirect) >> Coumarins OR Radical >> Radical mechanism via ROS
formation (indirect) >> Flavonoids OR Radical >> Radical mechanism via
ROS formation (indirect) >> Fused-Ring Nitroaromatics OR Radical >>
Radical mechanism via ROS formation (indirect) >> Fused-Ring Primary
Aromatic Amines OR Radical >> Radical mechanism via ROS formation
(indirect) >> Geminal Polyhaloalkane Derivatives OR Radical >> Radical
mechanism via ROS formation (indirect) >> Haloalcohols OR Radical >>
Radical mechanism via ROS formation (indirect) >> Hydrazine Derivatives
OR Radical >> Radical mechanism via ROS formation (indirect) >>
N-Hydroxylamines OR Radical >> Radical mechanism via ROS formation
(indirect) >> Nitro Azoarenes OR Radical >> Radical mechanism via ROS
formation (indirect) >> Nitroalkanes OR Radical >> Radical mechanism via
ROS formation (indirect) >> Nitroarenes with Other Active Groups OR
Radical >> Radical mechanism via ROS formation (indirect) >>
Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >>
Radical mechanism via ROS formation (indirect) >> p-Aminobiphenyl
Analogs OR Radical >> Radical mechanism via ROS formation (indirect) >>
Quinones OR Radical >> Radical mechanism via ROS formation (indirect) >>
Single-Ring Substituted Primary Aromatic Amines OR Radical >> Radical
mechanism via ROS formation (indirect) >> Specific Imine and Thione
Derivatives OR SN1 OR SN1 >> Alkylation after metabolically formed
carbenium ion species OR SN1 >> Alkylation after metabolically formed
carbenium ion species >> Polycyclic Aromatic Hydrocarbon Derivatives OR
SN1 >> Carbenium ion formation OR SN1 >> Carbenium ion formation >>
Alpha-Haloethers OR SN1 >> Nitrosation OR SN1 >> Nitrosation >>
Alkylnitrites OR SN1 >> Nucleophilic attack after carbenium ion
formation OR SN1 >> Nucleophilic attack after carbenium ion formation >>
N-Nitroso Compounds OR SN1 >> Nucleophilic attack after carbenium ion
formation >> Pyrrolizidine Derivatives OR SN1 >> Nucleophilic attack
after carbenium ion formation >> Specific Acetate Esters OR SN1 >>
Nucleophilic attack after diazonium or carbenium ion formation OR SN1 >>
Nucleophilic attack after diazonium or carbenium ion formation >>
Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> Amino Anthraquinones OR SN1 >>
Nucleophilic attack after metabolic nitrenium ion formation >>
Fused-Ring Primary Aromatic Amines OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> N-Hydroxylamines OR SN1 >>
Nucleophilic attack after metabolic nitrenium ion formation >>
p-Aminobiphenyl Analogs OR SN1 >> Nucleophilic attack after metabolic
nitrenium ion formation >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 >> Nucleophilic attack after nitrenium and/or carbenium
ion formation OR SN1 >> Nucleophilic attack after nitrenium and/or
carbenium ion formation >> N-Nitroso Compounds OR SN1 >> Nucleophilic
attack after reduction and nitrenium ion formation OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
Conjugated Nitro Compounds OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation >> Fused-Ring Nitroaromatics OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >> Nitro
Azoarenes OR SN1 >> Nucleophilic attack after reduction and nitrenium
ion formation >> Nitroarenes with Other Active Groups OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR SN1 >>
Nucleophilic substitution after glutathione-induced nitrenium ion
formation OR SN1 >> Nucleophilic substitution after glutathione-induced
nitrenium ion formation >> C-Nitroso Compounds OR SN1 >> Nucleophilic
substitution on diazonium ions OR SN1 >> Nucleophilic substitution on
diazonium ions >> Specific Imine and Thione Derivatives OR SN2 OR SN2 >>
Acylation OR SN2 >> Acylation >> Hydroxamic Acids OR SN2 >> Acylation >>
Specific Acetate Esters OR SN2 >> Acylation involving a leaving group
OR SN2 >> Acylation involving a leaving group >> Geminal
Polyhaloalkane Derivatives OR SN2 >> Acylation involving a leaving group
>> Haloalkane Derivatives with Labile Halogen OR SN2 >> Acylation
involving a leaving group after metabolic activation OR SN2 >> Acylation
involving a leaving group after metabolic activation >> Geminal
Polyhaloalkane Derivatives OR SN2 >> Alkylation by epoxide metabolically
formed after E2 reaction OR SN2 >> Alkylation by epoxide metabolically
formed after E2 reaction >> Haloalcohols OR SN2 >> Alkylation by epoxide
metabolically formed after E2 reaction >> Monohaloalkanes OR SN2 >>
Alkylation, direct acting epoxides and related OR SN2 >> Alkylation,
direct acting epoxides and related >> Epoxides and Aziridines OR SN2 >>
Alkylation, direct acting epoxides and related after cyclization OR SN2
>> Alkylation, direct acting epoxides and related after cyclization >>
Nitrogen Mustards OR SN2 >> Alkylation, direct acting epoxides and
related after P450-mediated metabolic activation OR SN2 >> Alkylation,
direct acting epoxides and related after P450-mediated metabolic
activation >> Haloalkenes with Electron-Withdrawing Groups OR SN2 >>
Alkylation, direct acting epoxides and related after P450-mediated
metabolic activation >> Polycyclic Aromatic Hydrocarbon Derivatives OR
SN2 >> Alkylation, nucleophilic substitution at sp3-carbon atom OR SN2
>> Alkylation, nucleophilic substitution at sp3-carbon atom >>
Haloalkane Derivatives with Labile Halogen OR SN2 >> Alkylation,
nucleophilic substitution at sp3-carbon atom >> Monohaloalkanes OR SN2
>> Alkylation, nucleophilic substitution at sp3-carbon atom >>
Sulfonates and Sulfates OR SN2 >> Alkylation, ring opening SN2 reaction
OR SN2 >> Alkylation, ring opening SN2 reaction >> Four- and
Five-Membered Lactones OR SN2 >> Direct acting epoxides formed after
metabolic activation OR SN2 >> Direct acting epoxides formed after
metabolic activation >> Coumarins OR SN2 >> Direct acting epoxides
formed after metabolic activation >> Quinoline Derivatives OR SN2 >>
Direct acylation involving a leaving group OR SN2 >> Direct acylation
involving a leaving group >> Acyl Halides OR SN2 >> DNA alkylation OR
SN2 >> DNA alkylation >> Alkylphosphates, Alkylthiophosphates and
Alkylphosphonates OR SN2 >> DNA alkylation >> Vicinal Dihaloalkanes OR
SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonium
ion formation (enzymatic) OR SN2 >> Internal SN2 reaction with
aziridinium and/or cyclic sulfonium ion formation (enzymatic) >> Vicinal
Dihaloalkanes OR SN2 >> Nucleophilic substitution after carbenium ion
formation OR SN2 >> Nucleophilic substitution after carbenium ion
formation >> Monohaloalkanes OR SN2 >> Nucleophilic substitution after
nitrite formation OR SN2 >> Nucleophilic substitution after nitrite
formation >> Nitroalkanes OR SN2 >> Nucleophilic substitution at sp3
Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >>
Haloalkanes Containing Heteroatom OR SN2 >> Nucleophilic substitution at
sp3 Carbon atom >> Specific Acetate Esters OR SN2 >> Nucleophilic
substitution at sp3 carbon atom after thiol (glutathione) conjugation OR
SN2 >> Nucleophilic substitution at sp3 carbon atom after thiol
(glutathione) conjugation >> Geminal Polyhaloalkane Derivatives OR SN2
>> Ring opening SN2 reaction OR SN2 >> Ring opening SN2 reaction >>
Haloisothiazolinones OR SN2 >> SN2 at an activated carbon atom OR SN2 >>
SN2 at an activated carbon atom >> Quinoline Derivatives OR SN2 >> SN2
at sp3 and activated sp2 carbon atom OR SN2 >> SN2 at sp3 and activated
sp2 carbon atom >> Polarized Haloalkene Derivatives OR SN2 >> SN2 at
sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers OR
SN2 >> SN2 at sulfur atom OR SN2 >> SN2 at sulfur atom >> Sulfonyl
Halides OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2 OR SN2 >>
SN2 attack on activated carbon Csp3 or Csp2 >> Nitroarenes with Other
Active Groups by DNA binding by OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
AND Strong binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Moderate binder, OH grooup OR Non binder, impaired OH or NH2 group OR
Non binder, MW>500 OR Non binder, without OH or NH2 group OR Strong
binder, 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: "h"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Acyl
transfer via nucleophilic addition reaction OR Acylation >> Acyl
transfer via nucleophilic addition reaction >> Carbodiimides OR
Acylation >> Acyl transfer via nucleophilic addition reaction >>
Isocyanates, Isothiocyanates OR Acylation >> Direct acylation involving
a leaving group OR Acylation >> Direct acylation involving a leaving
group >> (Thio)Acyl and (thio)carbamoyl halides and cyanides OR
Acylation >> Direct acylation involving a leaving group >> Anhydrides
(sulphur analogues of anhydrides) OR Acylation >> Direct acylation
involving a leaving group >> Azlactones and unsaturated lactone
derivatives OR Acylation >> Direct acylation involving a leaving group
>> Carbamates OR Acylation >> Ester aminolysis OR Acylation >> Ester
aminolysis >> Amides OR Acylation >> Ester aminolysis >>
Dithiocarbamates OR Acylation >> Ester aminolysis or thiolysis OR
Acylation >> Ester aminolysis or thiolysis >> Activated aryl esters OR
Acylation >> Ring opening acylation OR Acylation >> Ring opening
acylation >> beta-Lactams OR Michael Addition OR Michael Addition >>
Michael addition on conjugated systems with electron withdrawing group
OR Michael Addition >> Michael addition on conjugated systems with
electron withdrawing group >> alpha,beta-Carbonyl compounds with
polarized double bonds OR Michael Addition >> Michael addition on
conjugated systems with electron withdrawing group >>
alpha,beta-Carbonyl compounds with polarized triple bond OR Michael
Addition >> Michael addition on conjugated systems with electron
withdrawing group >> Cyanoalkenes OR Michael Addition >> Michael type
addition on azoxy compounds OR Michael Addition >> Michael type addition
on azoxy compounds >> Azoxy compounds OR Michael Addition >> Polarised
Alkenes OR Michael Addition >> Polarised Alkenes >> Polarised Alkenes -
sulfones OR Michael Addition >> Polarised Azo compounds OR Michael
Addition >> Polarised Azo compounds >> Azocarbonamides OR Nucleophilic
addition OR Nucleophilic addition >> Addition to carbon-hetero double
bonds OR Nucleophilic addition >> Addition to carbon-hetero double bonds
>> Azomethyme type compounds OR Nucleophilic addition >> Addition to
carbon-hetero double bonds >> Ketones OR Radical reactions OR Radical
reactions >> Free radical formation OR Radical reactions >> Free radical
formation >> Hydroperoxides OR Schiff base formation OR Schiff base
formation >> Direct acting Schiff base formers OR Schiff base formation
>> Direct acting Schiff base formers >> 1,2-Dicarbonyls and
1,3-Dicarbonyls OR Schiff base formation >> Pyrazolones and
Pyrazolidinones derivatives OR Schiff base formation >> Pyrazolones and
Pyrazolidinones derivatives >> Pyrazolones and Pyrazolidinones OR
Schiff base formation >> Schiff base formation with carbonyl compounds
OR Schiff base formation >> Schiff base formation with carbonyl
compounds >> Aldehydes OR Schiff base formation >> Schiff base formation
with carbonyl compounds >> alpha-Ketoesters OR SN1 OR SN1 >>
Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations OR SN1
>> Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations >>
Mercury compounds OR SN2 OR SN2 >> Interchange reaction with sulphur
containing compounds OR SN2 >> Interchange reaction with sulphur
containing compounds >> Thiols and disulfide compounds OR SN2 >>
Nucleophilic substitution at sp3 carbon atom OR SN2 >> Nucleophilic
substitution at sp3 carbon atom >> Alkyl halides OR SN2 >> Nucleophilic
substitution at sp3 carbon atom >> alpha-Activated haloalkanes OR SN2
>> SN2 Reaction at a sp3 carbon atom OR SN2 >> SN2 Reaction at a sp3
carbon atom >> Activated alkyl esters and thioesters OR SN2 >> SN2
reaction at a sulfur atom OR SN2 >> SN2 reaction at a sulfur atom >>
Thiocyanates OR SN2 Ionic OR SN2 Ionic >> Nucleophilic substitution at
protein disulfide bonds involving S-nucleophiles OR SN2 Ionic >>
Nucleophilic substitution at protein disulfide bonds involving
S-nucleophiles >> Thiourea compounds OR SNAr OR SNAr >> Nucleophilic
aromatic substitution on activated aryl and heteroaryl compounds OR SNAr
>> Nucleophilic aromatic substitution on activated aryl and heteroaryl
compounds >> Activated aryl and heteroaryl compounds OR SNVinyl OR
SNVinyl >> SNVinyl at a vinylic (sp2) carbon atom OR SNVinyl >> SNVinyl
at a vinylic (sp2) carbon atom >> Vinyl type compounds with electron
withdrawing groups by Protein binding by OASIS v1.3
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Group 13 - Metals Al,Ga,In,Tl
AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen
O AND Group 16 - Sulfur S by Chemical elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Group 3 - Lanthanoids OR Group
1 - Alkali Earth Li,Na,K,Rb,Cs,Fr OR Group 10 - Trans.Metals Ni,Pd,Pt OR
Group 11 - Trans.Metals Cu,Ag,Au OR Group 12 - Trans.Metals Zn,Cd,Hg OR
Group 13 - Metalloids B OR Group 14 - Metalloids Si,Ge OR Group 14 -
Metals Sn,Pb OR Group 15 - Metalloids As,Sb OR Group 15 - Phosphorus P
OR Group 16 - Selennm Se OR Group 17 - Halogens Br OR Group 17 -
Halogens Cl OR Group 17 - Halogens F OR Group 17 - Halogens F,Cl,Br,I,At
OR Group 17 - Halogens I OR Group 2 - Alkaline Earth Be,Mg,Ca,Sr,Ba,Ra
OR Group 4 - Trans.Metals Ti,Zr,Hf OR Group 5 - Trans.Metals V,Nb,Ta OR
Group 6 - Trans.Metals Cr,Mo,W OR Group 7 - Trans.Metals Mn,Tc,Re OR
Group 8 - Trans.Metals Fe,Ru,Os OR Group 9 - Trans.Metals Co,Rh,Ir OR
Unknown chemical element by Chemical elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aryl AND Azo AND Fused
carbocyclic aromatic AND Naphtalene AND No functional group found AND
Phenol AND Sulfonic acid by Organic Functional groups
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Acetal OR Acetoxy OR Acrylate OR
Acyloin OR Alcohol OR Aldimine OR Aldoxime derivatives OR Aliphatic
Amine, primary OR Aliphatic Amine, secondary OR Aliphatic Amine,
tertiary OR Alkane branched with quaternary carbon OR Alkane, branched
with tertiary carbon OR Alkene OR Alkoxy OR Alkyl arenes OR Alkyne OR
Allyl OR Alpha amino acid OR Ammonium salt OR Anthracene OR
Anthracenone/ Antracendione OR Aromatic amine OR Azide OR Azomethine OR
Azonitrile OR Benzopyran OR Benzyl OR Biphenyl OR Bridged-ring
carbocycles OR Carbamate OR Carbocyclic spiro rings OR Carbonate OR
Carboxamide OR Carboxylic acid OR Carboxylic acid ester OR Conjugated
system OR Coumaran OR Cyanamide OR Cyanohydrin OR Cyclo conjugated
system OR Cycloalkane OR Cycloalkene OR Cycloketone OR
Dihydrobenzopyranone OR Dihydrochromene/ Dihydrobenzopyran OR
Dihydropyran OR Dihydroxyl group OR Diketone OR Enol OR Ether OR Ether,
cyclic OR Formylamino OR Furane OR Fused heterocyclic aromatic OR Fused
saturated carbocycles OR Fused saturated heterocycles OR Fused
unsaturated heterocycles OR Glycerol and derivatives OR Guanidine OR
Hemiacetal OR Heterocyclic spiro rings OR Hydrazide OR Hydrazo OR
Hydrazone OR Imide OR Inden OR Indole/ Isoindole OR Isopropyl OR
Ketimine OR Ketone OR Ketoxime derivatives OR Lactone OR Maleate/
Fumarate OR Malononitrile OR Nitrate ester OR Nitrile OR Nitro aliphatic
OR Nitrobenzene OR N-Nitro OR O-Alkyl hydroxylamine OR Oxocarboxylic
acid OR Peroxycarboxylic acid ester OR Piperidine OR Precursors quinoid
compounds OR Pyridine OR Quinoline/ Isoquinoline OR Quinolizine OR
Sarcosine OR Saturated heterocyclic amine OR Saturated heterocyclic
fragment OR Semicarbazide OR Sulfate OR Sulfen amide OR Sulfide OR
Sulfonamide OR Sulfone OR Sulfoxide OR tert-Butyl OR
Tetrahydropyridoindol OR Tetrahydroquinoline/ Tetrahydroisoquinoline OR
Tetralin OR Tetralone OR Thioamide OR Thiocarbamate OR Thiocarboxamide
OR Thiosemicarbazide OR Thiourea derivatives OR Unsaturated heterocyclic
amine OR Unsaturated heterocyclic fragment OR Urea derivatives by
Organic Functional groups
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Hydroxyazo form (fused rings) -
1,5-H shift AND Stable form by Tautomers unstable
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Imidol form by Tautomers unstable
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aliphatic Nitrogen, one aromatic attach [-N] AND Aluminium [Al] AND
Aromatic Carbon [C] AND Azo [-N=N-] AND Hydroxy, aromatic attach [-OH]
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: "r"
Referential
boundary: The
target chemical should be classified as Tertiary Carbon by Organic
functional groups (US EPA)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aliphatic Nitrogen, one aromatic attach [-N] AND Aluminium [Al] AND
Aromatic Carbon [C] AND Azo [-N=N-] AND Hydroxy, aromatic attach [-OH]
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: "t"
Referential
boundary: The
target chemical should be classified as Oxygen, oxygen attach [-O-] by
Organic functional groups (US EPA)
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aliphatic Nitrogen, one aromatic attach [-N] AND Aluminium [Al] AND
Aromatic Carbon [C] AND Azo [-N=N-] AND Hydroxy, aromatic attach [-OH]
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: "v"
Referential
boundary: The
target chemical should be classified as Hydroxy, oxygen attach [-OH] by
Organic functional groups (US EPA)
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aliphatic Nitrogen, one aromatic attach [-N] AND Aluminium [Al] AND
Aromatic Carbon [C] AND Azo [-N=N-] AND Hydroxy, aromatic attach [-OH]
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: "x"
Referential
boundary: The
target chemical should be classified as Aliphatic Oxygen, not {v+2} by
Organic functional groups (US EPA)
Domain
logical expression index: "y"
Parametric
boundary:The
target chemical should have a value of log BCF max which is >= 0.961
log(L/kg wet)
Domain
logical expression index: "z"
Parametric
boundary:The
target chemical should have a value of log BCF max which is <= 1.79
log(L/kg wet)
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Genetic toxicity in vivo
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Genetic Toxicity in Vitro
Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (15790-07-5)was assessed for its mutagenic potential. The target substance is prepared by laking the mother compound disodium 6-hydroxy-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate Other name; Sunset Yellow (2783-94-0)with Aluminium hydroxide. The experimental study results for read-across substance (CAS: 2783-94-0) are used for Genetic toxicity in vitro. Since the read-across is a major component of the target Aluminium lake substance, the inference can be drawn using the information for the major component. Therefore, it is acceptable to derive information on mutation from the mother compound. The prediction and experimental studies are as mentioned below for target and mother compound as read across substance.
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, gene mutation was predicted for Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (15790-07-5). The study assumed the use of Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with and without S9 metabolic activation system. Aluminium, 6-hydroxy-5-[(4-sulfophenyl)
azo]-2-naphthalenesulfonic acid complex was predicted to not induce gene mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 in the presence and absence of S9 metabolic activation system and hence, according to the prediction made, it is not likely to classify as a gene mutant in vitro. Based on the predicted result it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
In a study for structurally and functionally read across chemical, Gene mutation toxicity study was performed by Joseph P.et al.( Mutations Research , 1978) to determine the mutagenic nature of disodium 6-hydroxy-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate(2783-94-0). The read across substances share high similarity in structure and log kow .Therefore, it is acceptable to derive information on mutation from the analogue substance. Genotoxic study was observed for Sunset Yellow in Salmonella typhimurium strain TA1535, TA100, TA1537, TA1538, and TA98 by plate method.The Salmonella typhimurium strain TA1535, TA100, TA1537, TA1538, and TA98 were exposed at the concentration of 50 and 250µg /plate with and without S9. The criteria we have adopted for scoring a mutagenic response in routine plate tests is that the observed number of revertants exceed twice the background value for that given assay and exceed the 99.9% confidence limit based on our historical controls. The azo dye Yellow No.6 was plated in the usual fashion at concentrations from 50 pg/plate to 500 pg/plate and then were incubated anaerobically for 16 h before the usual 3-day aerobic incubation. All results with the five tester strains with and without microsomal activation were negative. Therefore the result was considered to be negative (with and without) for Sunset Yellow in Salmonella typhimurium strain TA1535, TA100, TA1537, TA1538, and TA98 by plate method. Hence the substance cannot be classified as gene mutant in vitro.
In a study for structurally and functionally read across chemical, Gene mutation toxicity study was performed by R. COLIN GARNER et al.( Mutations Research , 1977) to determine the mutagenic nature of disodium 6-hydroxy-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate(2783-94-0). The read across substances share high similarity in structure and log kow .Therefore, it is acceptable to derive information on mutation from the analogue substance. Genetic toxicity study was observed for Sunset Yellow in Salmonella typhimurium strainTA 1538, TA 98 or TA 100. TheSalmonella typhimurium strain TA 1538, TA 98 or TA 100 were exposed at the concentration of 50 and 100µg/plate with and without S9. There was a modification in preparation of soft agar by adding0.1 ml of fresh liver post-mitochondrial supernatant fraction in 150 mM KC1 (equivalent to 25 mg of liver) from a male pentobarbitone pre-treated rat was added in soft agar. All the strains were tested with and without post-mitochondrial supernatant addition. Numbers of mutated bacteria were counted at the end of the incubation period, care being taken always to ensure that a background lawn of bacteria was seen. All assays were performed in duplicate and each compound was tested on at least two occasions. Numbers of revertants on test plates greater than 30 are classified as being significantly mutagenic. Mutagenic activity of the compounds alone was assayed by omitting the rat liver enzyme preparation. The result was estimated to be negative (with and without) for Sunset Yellow in Salmonella typhimurium strain TA 1538, TA 98 or TA 100 by Ames test. Hence the substance cannot be classified as gene mutant in vitro
Based on the prediction and experimental data available from the read across substance and applying weight of evidence Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (15790-07-5)does not exhibit gene mutation in vitro. Hence the test chemical is not likely to classify as a gene mutant in vitro.
Justification
Justification for classification or non-classification
Overall reported genetic toxicity studies of disodium 6-hydroxy-5-[(4-sulfonatophenyl) diazenyl]naphthalene-2-sulfonate(2783-94-0)and applying weight of evidence approach, indicate that Aluminium, 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex (15790-07-5)is not likely to exhibit genetic toxicity can be classified as 'non-hazardous' as per the CLP classification criteria
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