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EC number: 264-172-0 | CAS number: 63450-43-1
- 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:
- weight of evidence
- 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 LC50 read across evaluation for 63450-43-1
- 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:
- Prediction is done using QSAR Toolbox version 2.3.
- GLP compliance:
- no
Test material
- Reference substance name:
- Sodium 3-methylsulphanilate
- EC Number:
- 264-172-0
- EC Name:
- Sodium 3-methylsulphanilate
- Cas Number:
- 63450-43-1
- Molecular formula:
- C7H9NO3S.Na
- IUPAC Name:
- sodium 3-methylsulphanilate
- Details on test material:
- - Name of test material: sodium 3-methylsulphanilate
- Substance type:organic
- Physical state: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:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
Test conditions
- Test temperature:
- 21-25 deg.C
- Reference substance (positive control):
- not specified
Results and discussion
Effect concentrations
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 352.06 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: LC50
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 ( not "g") ) ) and "h" ) and "i" ) and ("j" and ( not "k") ) ) and "l" ) and ("m" and "n" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(N)c(C)cc(S(=O)(=O)O{-}.[Na]{+})cc1
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 OASIS
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as alpha,beta - unsaturated functional compounds OR Aromatic amines OR Isothiocyanates OR MA: Direct acylation involving a leaving group OR MA: Michael addition on conjugated systems with electron withdrawing group OR MA: Nitrenium ion formation OR MA: Nitrosonium ion formation OR MA: Nucleophilic aromatic substitution on activated halogens OR MA: Nucleophilic substitution at sp3 Carbon atom OR MA: Radical mechanism by ROS formation OR MA: ROS formation after GSH depletion OR Mechanistic Domain: Acylation OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Radical OR Mechanistic Domain: SN1 OR Mechanistic Domain: SN2 OR Mechanistic Domain: SNAr OR Monohaloarenes with Electron-Withdrawing Substituents OR Nitro compounds OR Phosphates and Their Derivatives by DNA binding by OASIS
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Isocyanates and isothiocyanates OR MA: Acyl transfer via nucleophilic addition reaction OR MA: Interchange reaction with sulphur containing compounds OR Mechanistic Domain: Acylation OR Mechanistic Domain: SN2 OR Thiols and disulfide compounds by Protein binding by OASIS
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as MA: Direct Acting Schiff Base Formers OR Mechanistic Domain: Schiff Base Formers OR Mono-carbonyls by Protein binding by OECD
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Very fast by Bioaccumulation - metabolism half-lives
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as No alerts for carcinogenic activity by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as Halogenated benzene (Nongenotox) OR Structural alert for nongenotoxic carcinogenicity by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain logical expression index: "l"
Similarity boundary:Target: c1(N)c(C)cc(S(=O)(=O)O{-}.[Na]{+})cc1
Threshold=80%,
Dice(Atom pairs)
Domain logical expression index: "m"
Parametric boundary:The target chemical should have a value of log Kow which is >= -3.44
Domain logical expression index: "n"
Parametric boundary:The target chemical should have a value of log Kow which is <= 1.6
Applicant's summary and conclusion
- Conclusions:
- Considering the CLP Criteria for aquatic classification of the substance, it is concluded that sodium 3-methylsulphanilate does not exhibit short term toxicity to aquatic invertebrates (Daphnia magna).
- Executive summary:
The lethal concentration (LC50) value of sodium 3-methylsulphanilate in Daphnia magna in a 48 hr study on mortality effect was found to be 352.05mg/L .Thus, considering the CLP Criteria for aquatic classification of the substance, it is concluded that sodium 3-methylsulphanilate does not exhibit short term toxicity to aquatic invertebrates (Daphnia magna).
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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