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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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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
Description of key information
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- 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 study:
- Draize test
- Species:
- human
- Strain:
- not specified
- Sex:
- not specified
- Route:
- other: unspecified
- Vehicle:
- unchanged (no vehicle)
- Positive control substance(s):
- not specified
- Reading:
- 1st reading
- Group:
- test chemical
- No. with + reactions:
- 0
- Clinical observations:
- negative skin sensitisation
- Remarks on result:
- other: Reading: 1st reading. Group: test group. No with. + reactions: 0.0. Clinical observations: negative skin sensitisation.
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The substance 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid was found to be non sensitizing to skin of human.
- Executive summary:
As per the QSAR prediction, the test material, 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid, was estimated to be non sensitizing to skin of human and so will not be considered for classification as per the C&L regulation.
Reference
The prediction was based on dataset comprised from the following descriptors: "Skin sensitisation"
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 ( not "f") ) ) and ("g" and "h" ) )
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 Protein binding by OASIS
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as a,b-unsatuarted aldehydes OR Acid anhydride OR Activated alkyl esters OR Activated alkyl or aryl esters OR Activated haloarenes OR Active cyclic agents OR Aldehydes OR alpha,beta-carbonyl compounds with polarized double bonds OR alpha,beta-carbonyl compounds with polarized triple bond OR alpha-activated haloalkanes OR Amide OR Azalactones OR Benzylic esters OR Carbamates OR C-Nitroso compounds OR Diacylperoxides OR Diarylesters OR Diketones OR Dithioester OR Epoxides, Aziridines and Sulfuranes OR Isocyanates and isothiocyanates OR Isothiazolones derivatives OR Ketones OR Lactones OR MA: a,b-unsaturated carbonyl compounds OR MA: Acyl transfer via nucleophilic addition reaction OR MA: Addition to Carbon-hetero double/triple bond OR MA: Direct acylation involving a leaving group OR MA: Electrostatic interaction of tetraalkylammonium ions with protein carboxylates OR MA: Ester aminolysis OR MA: Ester aminolysis or thiolysis OR MA: Michael addition on conjugated systems with electron withdrawing group OR MA: Nucleophilic addition at polarized N-functional double bond OR MA: Nucleophilic aromatic substitution on activated halogens OR MA: Nucleophilic cycloaddition to diketones OR MA: Nucleophilic substitution at sp3 Carbon atom OR MA: Nucleophilic substitution on benzylic carbon atom OR MA: Pyrazolones and pyrazolidinones derivatives OR MA: Quinone type compounds OR MA: Ring opening acylation OR MA: Ring opening SN2 reaction OR MA: Schiff base formation with carbonyl compounds OR Mechanistic Domain: Acylation OR Mechanistic Domain: Ionic OR Mechanistic Domain: Michael addition OR Mechanistic domain: Nucleophilic addition OR Mechanistic Domain: Schiff base formation OR Mechanistic Domain: SN2 OR Mechanistic Domain: SNAr OR N-acylamides OR N-acylsulphonamides OR N-sulfonylazomethyne compounds OR Pyrazolones and pyrazolidinones OR Quinones OR Sulfonates OR Sulphonyl halides OR Tetraalkylammonium ions OR Thiocyanates OR Thiophosphates by Protein binding by OASIS
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Very fast by Bioaccumulation - metabolism half-lives
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Group All log Kow < -3.1 AND Group All Melting Point > 200 C AND Group CNS log Kow < 0.5 AND Group CNS log Kow < -2 AND Group CNS Melting Point > 120 C AND Group CNS Melting Point > 50 C by Skin irritation/corrosion Exclusion rules by BfR
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Exclusion rules not met OR Group C Melting Point > 55 C OR Group C Vapour Pressure < 0.0001 Pa OR Group CN Aqueous Solubility < 0.1 g/L OR Group CN Melting Point > 180 C OR Group CN Molecular Weight > 290 g/mol OR Group CN Vapour Pressure < 0.001 Pa by Skin irritation/corrosion Exclusion rules by BfR
Domain logical expression index: "g"
Parametric boundary:The target chemical should have a value of log Kow which is >= -5.88
Domain logical expression index: "h"
Parametric boundary:The target chemical should have a value of log Kow which is <= -1.16
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
As per the QSAR prediction, the test material, 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid, was estimated to be non sensitizing to skin of human and so will not be considered for classification as per the C&L regulation. Based on the weight of evidence for the target substance 3-acetamido-5-amino-4-hydroxy benzene sulphonic acid, it is evident that the substance do not have sensitising effect on skin.
Migrated from Short description of key information:
The substance 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid was estimated to be non sensitizing to human skin.
Justification for selection of skin sensitisation endpoint:
The substance 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid was found to be non sensitizing to skin of human
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
3-acetamido-5-amino-4-hydroxybenzenesulphonic acid, was estimated to be non sensitizing to skin of human and so will not be considered for classification as per the C&L regulation.
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.
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