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EC number: 212-538-5 | CAS number: 824-79-3
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Sodium toluene-4-sulphinate
- EC Number:
- 212-538-5
- EC Name:
- Sodium toluene-4-sulphinate
- Cas Number:
- 824-79-3
- Molecular formula:
- C7H8O2S.Na
- IUPAC Name:
- sodium toluene-4-sulphinate
- Test material form:
- solid
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.9
- Temp.:
- 23 °C
- pH:
- 4
- Details on results:
- Preliminary visual estimation of the n-octanol solubility
Defined amounts of the test item were stirred with n-octanol at room temperature and visually checked for any undissolved parts. According to this preliminary test the solubility of the test item in n-octanol was between 1.6 g/l and 21.9 g/l (without correction for the purity).
Calculation of the partition coefficient log POW from the preliminary test
The estimated partition coefficient was calculated with the water solubility from the preliminary test data determined in project PS20180189-4 (cS = 212 g/l) . It was calculated to be: log POW between -1.0 and -2.1.
Also the program KOWWIN (part of EPI Suite) was used for calculating the log POW of the test item. The calculated values were -0.6 (for the free acid of the test item) and -2.5 (for the sodium salt of the test item).
Because of the estimated and the calculated values of log Pow, according to the guidelines the partition coefficient of the test item was determined by the shake flask method.
Partition coefficients of the shake flask method at pH 4 was determined to be log Pow = -0.9.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (n-octanol/water) of the test item was determined: log Pow = -0.9 (pH 4).
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