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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
Toxicity to reproduction
Administrative data
- Endpoint:
- two-generation reproductive toxicity
- Remarks:
- based on test type (migrated information)
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for LOEL read across evaluation for 40306-75-0
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR Toolbox version 2.3
Materials and methods
Test guideline
- 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
Test material
- Reference substance name:
- 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid
- EC Number:
- 254-879-2
- EC Name:
- 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid
- Cas Number:
- 40306-75-0
- Molecular formula:
- C8H10N2O5S
- IUPAC Name:
- 3-acetamido-5-amino-4-hydroxybenzenesulfonic acid
- Details on test material:
- - Name of test material : 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid
- Molecular formula : C8H10N2O5S
- Molecular weight : 246.24
Constituent 1
Test animals
- Species:
- rat
- Strain:
- other: Rattus norvegicus
- Sex:
- male/female
Administration / exposure
- Route of administration:
- oral: unspecified
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- unchanged (no vehicle)
- Duration of treatment / exposure:
- 10 weeks
Results and discussion
Results: P0 (first parental generation)
Effect levels (P0)
- Dose descriptor:
- other: not specified
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity (P0)
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
Results: F2 generation
Effect levels (F2)
- Dose descriptor:
- LOEL
- Generation:
- F2
- Effect level:
- 108.763 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity (F2)
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
Overall reproductive toxicity
- Reproductive effects observed:
- not specified
- Treatment related:
- not specified
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: LOEL
Estimation method: Taking average 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 DNA binding by
OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic tertiary amines OR
Aromatic nitro OR MA: Iminium Ion Formation OR MA: Nitrenium Ion
Formation OR MA: P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Mechanistic Domain: Michael addition OR Mechanistic Domain:
SN1 OR Methylenedioxyphenyl OR Primary aromatic amine by DNA binding by
OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (with extension)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as alpha,beta-carbonyl compounds
with polarized double bonds OR Carbamates OR MA: Direct acylation
involving a leaving group OR MA: Michael addition on conjugated systems
with electron withdrawing group OR MA: Nucleophilic substitution at sp3
Carbon atom OR MA: Pyrazolones and pyrazolidinones derivatives OR
Mechanistic Domain: Acylation OR Mechanistic Domain: Michael addition OR
Mechanistic Domain: Schiff base formation OR Mechanistic Domain: SN2 OR
N-acylamides OR N-acylsulphonamides OR Pyrazolones and pyrazolidinones
OR Thiophosphates by Protein binding by OASIS
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -4.82
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.49
Applicant's summary and conclusion
- Conclusions:
- 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid shall not exhibit toxic effect to Rattus norvegicus below the mentioned dose.
- Executive summary:
The two generation reproductive toxicity LOEL (Lowest observed effect level) of 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid in Rattus norvegicus was observed at a dose concentration of 108.7634 mg/kg bw/day.This indicates that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid shall not exhibit toxic effect to Rattus norvegicus below the above mention dose. This conclusion has been drawn based on the QSAR prediction done on the target chemical.
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