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EC number: 297-664-9 | CAS number: 93686-15-8
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- From August 19, 2020 to October 26, 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Cross-reference
- Reason / purpose for cross-reference:
- other: The experimental value was used for the calculation of partition coefficient.
Reference
- Endpoint:
- water solubility
- Remarks:
- The 1-octanol solubility was measured.
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- From September 2, 2020 to October 26, 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- yes
- Type of method:
- flask method
- Specific details on test material used for the study:
- -Storage conditions
The test sample was sealed with nitrogen gas and stored with silica gel in a dark storage place at room temperature.
-Test item identification and stability under storage conditions
The infrared (IR) spectrum of the test item measured at this test facility was confirmed to be identical to that provided by the sponsor.
In addition, the IR spectrum of the test item after the completion of the experiment was the same as that before the start of the experiment, and it indicated that the test item was stable under the storage conditions. - Key result
- Water solubility:
- 175 g/L
- Conc. based on:
- act. ingr.
- Loading of aqueous phase:
- 235 g/L
- Incubation duration:
- 24 h
- Temp.:
- 20 °C
- Remarks on result:
- other: The 1-octanol solubility was measured.
- Details on results:
- It was judged that the test item concentrations in the test solutions reached the equilibrium concentration because the maximum difference of test item concentrations in the test solutions was lower than 15%. Therefore, it is concluded that the test results are acceptable.
- Conclusions:
- The 1-Octanol solubility of the registered substance is determined to be 175 g/L at 20ºC.
- Executive summary:
-Objective
The objective of this study is to obtain the 1-octanol solubility of C16IOS-Na.
-Test guideline
OECD Guidelines for Testing of Chemicals, No. 105, July 27, 1995, "Water Solubility: Flask method"
-Test conditions
Test solvent: 1-Octanol (Nacalai Tesque, EXTRA PURE REAGENT)
Agitation temperature: 30ºC
Agitation period: 1 day, 2 days and 3 days
Test temperature: 20±0.5ºC
Equilibration time: 24 hours
Number of repetition: 2 (at each agitation period)
Analytical method: Liquid chromatography-mass spectrometry
-Results
The 1-Octanol solubility of the registered substance is determined to be 175 g/L at 20ºC.
Agitation period | Sample | Concentration of test item in test solution (g/L) | Maximum difference (%) | ||
Measured value | Average | Standard deviation | |||
1 day | Sample 1-a | 170 | 175 | 3.50 | 4.98 |
Sample 1-b | 172 | ||||
2 days | Sample 2-a | 178 | |||
Sample 2-b | 175 | ||||
3 days | Sample 3-a | 178 | |||
Sample 3-b | 179 |
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- yes
- Remarks:
- The partition coefficient of test item is calculated based on the 1-octanol solubility and the critical micelle concentration (cmc).
- GLP compliance:
- not specified
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Sulfonic acids, C16-alkane hydroxy and C16-alkene, sodium salts
- EC Number:
- 297-664-9
- EC Name:
- Sulfonic acids, C16-alkane hydroxy and C16-alkene, sodium salts
- Cas Number:
- 93686-15-8
- IUPAC Name:
- Sulfonic acid, C16-alkane hydroxy and C16-alkene, sodium salts
- Test material form:
- solid
- Remarks:
- This solid sample was obtained from the original liquid form by removing water.
- Details on test material:
- CAS number: 93686-15-8
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.45
- Remarks on result:
- other: 285 as Pow
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the registered substance was determined to be log Pow = 2.45.
- Executive summary:
-Objective
The objective of this study is to obtain the 1-octanol/water partition coefficient of C16IOS-Na.
-Test guideline
OECD Guidelines for the Testing of Chemicals, No. 107, July 27, 1995 "Partition Coefficient (n-octanol/water): Shake Flask Method"
Deviation from Guideline:
The partition coefficient of test item is calculated based on the 1-octanol solubility and the critical micelle concentration (cmc).
-Calculation method
The partition coefficient of test item was calculated from the following equation.
Pow = 1-Octanol solubility (g/L) / cmc (g/L)
-Result
The partition coefficient of the registered substance was determined to be log Pow = 2.45.
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