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EC number: 239-491-3 | CAS number: 15471-17-7
- 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
Genetic toxicity: in vivo
Administrative data
- Endpoint:
- genetic toxicity in vivo
- Remarks:
- Type of genotoxicity: other: Prediction of chromosome aberration
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Toxtree (version 2.5.0.) modelling tool was developed by IDEA Consult Ltd (Sofia, Bulgaria) and is approved and recommended by the EU Joint Research Center in Ispra (Italy) (LINK: http://ecb.jrc.ec.europa.eu/qsar/qsar-tools/index.php?c=TOXTREE).
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Prediction by the Toxtree modelling tool
- GLP compliance:
- no
- Type of assay:
- micronucleus assay
Test material
- Reference substance name:
- 3-(1-Pyridinio)-1-propanesulfonate
- IUPAC Name:
- 3-(1-Pyridinio)-1-propanesulfonate
- Reference substance name:
- 1-(3-sulphonatopropyl)pyridinium
- EC Number:
- 239-491-3
- EC Name:
- 1-(3-sulphonatopropyl)pyridinium
- Cas Number:
- 15471-17-7
- Molecular formula:
- C8H11NO3S
- IUPAC Name:
- 1-(2-hydroxy-3-sulphonatopropyl)pyridinium
- Details on test material:
- 3-(1-Pyridinio)-1-propanesulfonate
Constituent 1
Constituent 2
Test animals
- Species:
- other: not applicable
Results and discussion
Test results
- Genotoxicity:
- other: No alerts for the micronucleus assay (Class II)
Any other information on results incl. tables
Explanation of rules:
QSA1.Acyl halidesNo
QSA2.Alkyl (C5) or benzyl ester of sulphonic or phosphonic acidNo
QSA3.N-methylol derivativesNo
QSA4.MonohaloalkeneNo
QSA5.S or N mustardNo
QSA6.Propiolactones and propiosultonesNo
QSA7.Epoxides and aziridinesNo
QSA8.Aliphatic halogensNo
QSA9.Alkyl nitriteNo
QSA10.α,β unsaturated carbonylsNo
QSA11.Simple aldehydeNo
QSA12.QuinonesNo
QSA13.HydrazineNo
QSA14.Aliphatic azo and azoxyNo
QSA15.Isocyanate and isothiocyanate groupsNo
QSA16.Alkyl carbamate and thiocarbamateNo
QSA18.Polycyclic Aromatic HydrocarbonsNo
QSA19.Heterocyclic Polycyclic Aromatic HydrocarbonsNo
QSA21.Alkyl and aryl N-nitroso groupsNo
QSA22.Azide and triazene groupsNo
QSA23.Aliphatic N-nitroNo
QSA24.α,β unsaturated alkoxyNo
QSA25.Aromatic nitroso groupNo
QSA26.Aromatic ring N-oxideNo
QSA27.Nitro aromaticNo
QSA28.Primary aromatic amine, hydroxyl amine and its derived esters (with restrictions)No
QSA28bis.Aromatic mono- and dialkylamineNo
QSA28ter.Aromatic N-acyl amineNo
QSA29.Aromatic diazoNo
QSA30.Coumarins and FurocoumarinsNo
QSA32.1,3-dialkoxy-benzeneNo
QSA33.1-phenoxy-benzeneNo
QSA34.H-acceptor-path3-H-acceptorNo
QSA35.OxolaneNo
QSA36.CarbodiimidesNo
QAny alert?.At least one alert fired?NoClassNo alerts for the micronucleus assay (Class II)Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): negative Modelling results
No structural alert was identified for the micronucleus assay. - Executive summary:
Genetic toxicity potential of 3-(1-Pyridinio)-1-propanesulfonate was assessed using the Toxtree (version 2.5.0.) modelling tool . Toxtree was developed by IDEA Consult Ltd (Sofia, Bulgaria) and is approved and recommended by the EU Joint Research Center in Ispra (Italy) (LINK:http://ecb.jrc.ec.europa.eu/qsar/qsar-tools/index.php?c=TOXTREE). According to the modelling results of Toxtree, no structural alerts were identified for 3-(1-Pyridinio)-1-propanesulfonate, which might induce positive response in in-vivo micronucleus assay.
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