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EC number: 202-662-8 | CAS number: 98-37-3
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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 EC50 read across evaluation for 98-37-3
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 013
- 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:
- Data is predicted by QSAR toolbox version 2.3
- GLP compliance:
- no
Test material
- Reference substance name:
- 3-amino-4-hydroxybenzenesulphonic acid
- EC Number:
- 202-662-8
- EC Name:
- 3-amino-4-hydroxybenzenesulphonic acid
- Cas Number:
- 98-37-3
- Molecular formula:
- C6H7NO4S
- IUPAC Name:
- 3-amino-4-hydroxybenzenesulphonic acid
- Test material form:
- solid: crystalline
- Details on test material:
- - Name of test material : 3-amino-4-hydroxybenzenesulphonic acid
-Substance type-organic
-physical state-crystalline solid.
Constituent 1
Sampling and analysis
- Analytical monitoring:
- not specified
Test solutions
- Vehicle:
- not specified
Test organisms
- Test organisms (species):
- Daphnia magna
Study design
- Test type:
- flow-through
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
Results and discussion
Effect concentrations
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 154.169 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: EC50
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 ( not "e") ) ) and "f" ) and "g" ) and ("h" and ( not "i") ) ) and ("j" and "k" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(O)c(N)cc(S(=O)(=O)O)cc1
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 Activated haloarenes OR alpha,beta-carbonyl compounds with polarized double bonds OR Carbamates OR Isothiazolones derivatives OR MA: Direct acylation involving a leaving group OR MA: Michael addition on conjugated systems with electron withdrawing group OR MA: Nucleophilic aromatic substitution on activated halogens OR MA: Nucleophilic substitution at sp3 Carbon atom OR MA: Ring opening SN2 reaction OR Mechanistic Domain: Acylation OR Mechanistic Domain: Michael addition OR Mechanistic Domain: SN2 OR Mechanistic Domain: SNAr OR N-acylsulphonamides OR Nitroalkenes OR Phosphates OR Thiophosphates OR Vinyl sulfonyl compounds by Protein binding by OASIS
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Acetates OR Allyl acetates and related chemicals OR MA: Direct Acting Schiff Base Formers OR MA: Direct Acylation Involving a Leaving group OR MA: SN2 reaction at sp3 carbon atom OR Mechanistic Domain: Acylation OR Mechanistic Domain: Schiff Base Formers OR Mechanistic Domain: SN2 OR Mono-carbonyls by Protein binding by OECD
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (original)
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extension)
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Aliphatic tertiary amines OR Aromatic nitro OR Aromatic phenylureas OR MA: Iminium Ion Formation OR MA: Nitrenium Ion Formation OR Mechanistic Domain: SN1 OR Primary aromatic amine by DNA binding by OECD
Domain logical expression index: "j"
Parametric boundary:The target chemical should have a value of log Kow which is >= -4.81
Domain logical expression index: "k"
Parametric boundary:The target chemical should have a value of log Kow which is <= 0.805
Applicant's summary and conclusion
- Conclusions:
- The effective concentration (EC50) value of ethyl 3-amino-4-hydroxybenzenesulphonic acid(Daphnia Magna) in a 48 hr study based on intoxication was estimated to be 154.1687mg/L. Thus considering the value from CLP Criteria for aquatic classification of the substance , it is concluded that 3-amino-4-hydroxybenzenesulphonic acid could not exhibit short term toxicity to aquatic invertebrate (Daphnia Magna) .
- Executive summary:
The effective concentration (EC50) value ofethyl3-amino-4-hydroxybenzenesulphonic acid(Daphnia Magna) in a 48 hr study based on intoxication was estimated to be 154.1687mg/L. Thus considering the value from CLP Criteria for aquatic classification of the substance , it is concluded that 3-amino-4-hydroxybenzenesulphonic acid could not exhibit short term toxicity to aquatic invertebrate (Daphnia Magna) .
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