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EC number: 229-851-8 | CAS number: 6786-83-0 with ≥ 0.1% of Michler's ketone (EC No. 202-027-5) or Michler's base (EC No. 202-959-2)
- 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
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1
- GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- 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
- Remarks on result:
- other: all strains/cell types tested
- Remarks:
- Migrated from field 'Test system'.
- Conclusions:
- Interpretation of results (migrated information):
negative
Based on the prediction for in-vitro bacterial reverse mutation assay (e.g. Ames test) on S. typhimurium TA 1535 with or without S9 metabolic activation it was estimated that α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol was non mutagenic. - Executive summary:
Based on the prediction for in-vitro bacterial reverse mutation assay (e.g. Ames test) on S. typhimurium TA 1535 with or without S9 metabolic activation it was estimated that α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol was non mutagenic.
Reference
The prediction was based on dataset comprised from the following descriptors: "Gene mutation"
Estimation method: Takes highest mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((((("a" or "b" ) or "c" or "d" or "e" ) and ("f" and ( not "g") ) ) and "h" ) and "i" ) and "j" ) and "k" ) and ("l" and "m" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(C(O)(c2c3c(c(Nc4ccccc4)cc2)cccc3)c2ccc(N(C)C)cc2)ccc(N(C)C)cc1
Threshold=50%,
Dice(Atom centered fragments)
Domain logical expression index: "b"
Similarity boundary:Target: c1(Nc2ccccc2)c2c(c(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc1)cccc2
Threshold=50%,
Dice(Atom centered fragments)
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Alcohol AND Aromatic amine AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups by Organic functional groups (nested)
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Alcohol AND Aromatic amine AND Aryl AND Fused carbocyclic aromatic AND Naphtalene by Organic functional groups
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion formation AND SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine by DNA binding by OECD
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Not categorized by OECD HPV Chemical Categories
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Maleic anhydride and acid OR Phosphonic acids - Group 2 OR Primary amines OR Secondary amines by OECD HPV Chemical Categories
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as No superfragment by Superfragments
Domain logical expression index: "i"
Similarity boundary:Target: c1(C(O)(c2c3c(c(Nc4ccccc4)cc2)cccc3)c2ccc(N(C)C)cc2)ccc(N(C)C)cc1
Threshold=30%,
Dice(Atom centered fragments)
Domain logical expression index: "j"
Similarity boundary:Target: c1(C(O)(c2c3c(c(Nc4ccccc4)cc2)cccc3)c2ccc(N(C)C)cc2)ccc(N(C)C)cc1
Threshold=10%,
Dice(Atom centered fragments)
Domain logical expression index: "k"
Similarity boundary:Target: c1(C(O)(c2c3c(c(Nc4ccccc4)cc2)cccc3)c2ccc(N(C)C)cc2)ccc(N(C)C)cc1
Threshold=40%,
Dice(Atom centered fragments)
Domain logical expression index: "l"
Parametric boundary:The target chemical should have a value of log Kow which is >= 6.99
Domain logical expression index: "m"
Parametric boundary:The target chemical should have a value of log Kow which is <= 7.39
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
The summary of the results are presented below
Sr.No | Endpoint | Interpretation of results | Species | Sources |
1 | Genetic toxicity | Negative with and without metabolic activation | Salmonella typhimurium strain TA1537, | Predicted data |
2 | Genetic toxicity | negative with metabolic activation | S. typhimuriumTA97, TA98, TA100, TA102, TA104, or TA1535 | RA Publication data |
3 | Genetic toxicity | Negative with and without metabolic activation | Chinese hamster Ovary (CHO) | RA Publication data |
By applying weight of evidence approach it was concluded that the test substance α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol shows negative results in Salmonella typhimurium & Chinese hamster Ovary.
Justification for selection of genetic toxicity endpoint
Model considered reliable by OECD
Justification for classification or non-classification
Based upon the prediction done using QSAR, it can be concluded that the α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) is not likely to be mutagenic to bacteria as well as cause chromosomal abberation on Chinese hamster Lung (CHL) without S9 metabolic activation. Thus, the chemical is classified as non-mutagenic in the dose levels mentioned in the predictions.
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