Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 254-879-2 | CAS number: 40306-75-0
- 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
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
The substance 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid was found to be non mutagenic.
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
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3.
- GLP compliance:
- no
- Type of assay:
- bacterial reverse mutation assay
- Species / strain / cell type:
- S. typhimurium TA 100
- Additional strain / cell type characteristics:
- not specified
- Metabolic activation:
- without
- Metabolic activation system:
- S9
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- 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 without metabolic activation
Based on the prediction for in-vitro bacterial reverse mutation assay (e.g. Ames test) on S. typhimurium TA 100 without S9 metabolic activation it was estimated that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid was non mutagenic. - Executive summary:
Based on the QSAR prediction for in-vitro bacterial reverse mutation assay (e.g. Ames test) on S. typhimurium TA 100 without S9 metabolic activation it was estimated that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid was non mutagenic in character and so genetic toxicity in negative.
Reference
The prediction was based on dataset comprised from the following descriptors: "Gene mutation"
Estimation method: Taking highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((("a" and ("b" and ( not "c") ) ) and "d" ) and ("e" and "f" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(N)c(O)c(NC(C)=O)cc(S(=O)(=O)O)c1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as 5-alkoxyindoles OR Acyl halide OR Aliphatic halides OR Aliphatic N-Nitro OR Aliphatic tertiary amines OR Alkyl phenols OR Allyl benzenes OR Alpha, beta- unsaturated aldehydes OR Alpha, beta- unsaturated amides OR Alpha, beta- unsaturated esters OR Alpha, beta- unsaturated ketones OR Arenes OR Aromatic azo OR Aromatic nitro OR Aromatic nitroso OR Aromatic phenylureas OR Aziridines OR Coumarins OR Epoxides OR Ethanolamines (including morpholine) OR Formamides OR Furans OR Hydrazine OR Hydroquinones OR Isocyanates OR MA: Carbenium Ion Formation OR MA: Chemicals Activated by P450 to Glyoxal OR MA: Direct Acting Epoxides and related OR MA: Direct Addition of an Acyl Halide OR MA: Episulfonium Ion Formation OR MA: Iminium Ion Formation OR MA: Isocyanates and Isothiocyanates OR MA: Nitrenium Ion Formation OR MA: Nitrosation_SN2 OR MA: P450 Mediated Activation of Heterocyclic Ring Systems OR MA: P450 Mediated Activation to Isocyanates or Isothiocyanates OR MA: P450 Mediated Activation to Quinones and Quinone-type Chemicals OR MA: P450 Mediated Epoxidation OR MA: Polarised Alkenes_Michael addition OR MA: Quinones and Quinone-type Chemicals OR MA: SN2 at an sp3 Carbon atom OR Mechanistic Domain: Acyalation OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Schiff base OR Mechanistic Domain: SN1 OR Mechanistic Domain: SN2 OR Methylenedioxyphenyl OR Mustards OR Nitroso_SN2 OR N-Nitroso (alkylation) OR Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons_Michael addition OR Primary (unsaturated) heterocyclic amine OR Primary aromatic amine OR Quinones OR Secondary (unsaturated) heterocyclic amine OR Secondary aromatic amine OR Sulfonylureas OR Tertiary aromatic amine OR Unsaturated heterocyclic nitro by DNA binding by OECD
Domain logical expression index: "d"
Similarity boundary:Target: c1(N)c(O)c(NC(C)=O)cc(S(=O)(=O)O)c1
Threshold=60%,
Dice(Atom pairs)
Domain logical expression index: "e"
Parametric boundary:The target chemical should have a value of log Kow which is >= -4.61
Domain logical expression index: "f"
Parametric boundary:The target chemical should have a value of log Kow which is <= -2.56
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
Additional information from genetic toxicity in vitro:
Based on the weight of evidence for the target substance 3-acetamido-5-amino-4-hydroxy benzene sulphonic acid and the read across substance,it is evident that the target do not have genetic toxicity charateristics.
Ames Test :
Based on the weight of evidence of all the prediction for in-vitro bacterial reverse mutation assay (e.g. Ames test) on S. typhimurium TA 100 without S9 metabolic activation it was estimated that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid was non mutagenic in character and the same has been supported by the DAnish EPA study as well.
Chromosome aberration :
Based on the prediction for in-vitro mammalian chromosome aberration test on Chinese hamster Lung (CHL) without S9 metabolic activation it was estimated that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid does not exhibit positive chromosomal effect.
Justification for selection of genetic toxicity endpoint
Based on the prediction for in-vitro bacterial reverse mutation assay (e.g. Ames test) on S. typhimurium TA 100 without S9 metabolic activation it was estimated that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid was non mutagenic. Also Based on the prediction for in-vitro mammalian chromosome aberration test on Chinese hamster Lung (CHL) without S9 metabolic activation it was estimated that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid does not exhibit positive chromosomal effect.
Justification for classification or non-classification
3-acetamido-5-amino-4-hydroxybenzenesulphonic acid shows negative genotoxicity in bacteria as well as in mammalian cell for chromosomal abberation and was therefore not classified as a chemical exhibiting genetic toxicity.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.