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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
Dermal absorption
Administrative data
- Endpoint:
- dermal absorption
- Type of information:
- other: Expert statement
- Adequacy of study:
- key study
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: An extensive Assessment of the toxicological behaviour of 3-(1-Pyridinio)-1-propanesulfonate was performed, taking into account the chemical structure, the available physico-chemical-data and the available (eco-)toxicological data.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2014
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Prediction based on the physico-chemical properties and on the toxicological data.
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
Constituent 1
Constituent 2
Results and discussion
Percutaneous absorption
- Parameter:
- percentage
- Absorption:
- 50 %
- Remarks on result:
- other: 3-(1-Pyridinio)-1-propanesulfonate is expected to be absorbed to a limited extent following dermal exposure into the stratum corneum and into the epidermis, due to its high water solubility (240.5 g/L) and negative LogPow (-2.78).
Any other information on results incl. tables
Absorption following dermal exposure
In order to cross the skin, a compound must first penetrate into the dead stratum corneum and may subsequently reach the viable epidermis, the dermis and the vascular network. The stratum corneum provides its greatest barrier function against hydrophilic compounds, whereas the viable epidermis is most resistant to penetration by highly lipophilic compounds. Substances with a molecular weight below 100 g/mol are favourable for penetration of the skin and substances above 500 g/mol are normally not able to penetrate. The molecular weight of 3-(1-pyridinio)-1-propanesulfonate (201.24 g/mol) is in the range favourable for absorption. The substance must be sufficiently soluble in water to partition from the stratum corneum into the epidermis. However, 3-(1-Pyridinio)-1-propanesulfonate may be too hydrophilic to cross the lipid rich environment of the stratum corneum due to its very high water solubility (240.5 g/L) and logPowof -2.78. Absorption of 3-(1-pyridinio)-1-propanesulfonate into the stratum corneum via its partition from the air can be ruled out due to the low vapour pressure of the substance (4.24 E-05 Pa at 25 °C). The substance is neither a skin irritant nor corrosive, therefore no enhancement of dermal absorption is expected due to the damage of the skin surface. The systemic toxicity of 3-(1-pyridinio)-1-propanesulfonate via the skin is low. This has been proved by the results of the acute dermal toxicity study, which showed no mortality after dermal application of 2000 mg/kg bw in rats (Driscoll, 2001). During the whole absorption process into the skin, the compound may be subject to biotransformation.
Based on this knowledge, 3-(1-pyridinio)-1-propanesulfonate is expected to be absorbed following dermal exposure to a limited extent into the stratum corneum and from there into the epidermis, due to its negative logPow(-2.78) and high water solubility (240.5 g/L). The molecular weight of 201.24 g/mol (< 500 g/mol) points to a moderate absorption through the skin. Therefore, 50 % dermal absorption is considered appropriate for the hazard assessment (DNEL derivation).
Applicant's summary and conclusion
- Conclusions:
- An extensive Toxicological Statement for 3-(1-Pyridinio)-1-propanesulfonate was performed (expert statement), taking into account the chemical structure, the available physico-chemical-data and the available (eco-)toxicological data.
- Executive summary:
In order to assess the toxicological behaviour of 3-(1-pyridinio)-1-propanesulfonate, the available and predicted physico-chemical and toxicity data have been evaluated. The substance is expected to be well absorbed after oral exposure, based on its low molecular weight, its high water solubility and its logPowof < -2.78. Concerning the absorption after exposure via inhalation, as the chemical has a low vapour pressure, it is clear, that the substance has a low availability for inhalation. Given its hydrophilicity (logPowof < -2.78), if any of the substance is available for inhalation, it is expected to be absorbed directly through aqueous pores. Moreover, the average particle size is 32.1 µm (< 100 µm), indicating the potential to be inspired. 3-(1-Pyridinio)-1-propanesulfonate is expected to be absorbed to a limited extent following dermal exposure into the stratum corneum and into the epidermis, due to its high water solubility and its logPow. The substance is expected to be extensively and wide distributed throughout the body into the intravasal compartment. The substance does not bear accumulative potential after repeated exposures. 3-(1-Pyridinio)-1-propanesulfonate is expected to be metabolised via the Cytochrome P450 group of metabolizing enzymes. However, elimination of unchanged or metabolised substance will occur mainly via the urine, either without or after conjugation to glucuronic acid, activated sulphate or activated methionine.
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