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EC number: 947-523-9 | CAS number: -
- 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
Solubility in organic solvents / fat solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- solubility in organic solvents / fat solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- June 27, 2017 - December 11, 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD Guideline 105
- Version / remarks:
- Solubility measured in n-octanol instead of water
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- - Analytical purity: 100% (UVCB)
- Purity test date: 06 June 2017
- Lot/batch No.: 180517GT41
- Expiration date of the lot/batch: 31 December 2017
- Appearance: Beige pasty solid
- Storage: At room temperature - Key result
- Medium:
- n-octanol
- Solubility:
- 276 mg/L
- Temp.:
- 20 °C
- Conclusions:
- The n-octanol solubility of the test item at 20.0 ± 0.2°C was estimated to be 276 mg/L.
- Executive summary:
The n-octanol solubility of the test item was determined in a GLP-compliant study performed in accordance with a method equivalent or similar to OECD Guideline No. 105. (solubility measured in n-octanol instead of water). The n-octanol solubility of the test item at 20.0 ± 0.2°C was estimated to be 276 mg/L.
Reference
RESULTS
Preliminary test
Preliminary test – 10 g/L. Based on the response for C18:1 amido propyl betaine, the content of test item dissolved in the n-octanol sample was 11.4 g/L after 3 centrifugation steps and 10.8 g/L after 4
centrifugation steps.
Preliminary test – 100 g/L. Based on the response for C18:1 amido propyl betaine, the content of test item dissolved in the n-octanol sample was 118 g/L after 3 centrifugation steps and 117 g/L after 4
centrifugation steps
Main study
Both mixtures prepared during the preliminary test were turbid (suspensions). After centrifugation for 5 minutes at 61421 g, undissolved material was observed at the bottom of the centrifugation tube. As test item concentrations based on the response for C18:1 amido propyl betaine were the nominal concentrations, it was concluded that the C18:1 form had completely dissolved but another form not. For the measurement of n-octanol solubility of all compounds in the test item, an approach similar to that of critical micelle concentration was used, turbidity being measured instead of surface tension. By extrapolation to zero turbidity, the concentration at which all compounds of the test item have dissolved is obtained. Standard techniques of linear regression were applied to estimate the concentration at zero turbidity i.e. the value which represents the n-octanol solubility.
The results of the test on the determination of the turbidity for the test samples are given in the table below.
Nominal concentrations [mg/L] |
Turbidity [NTU] |
Corrected turbidity* [NTU] |
0 0 103 103 204 204 418 418 804 804 1060 1060 1190 1190 1598 1598 1986 1986 4030 4030 5972 5972 7922 7922 |
0.096 0.080 1.02 0.698 0.875 1.13 3.39 2.61 8.96 8.14 10.1 9.95
13.5 13.9 18.8 18.2 23.8 24.4 44.5 44.2 89.4 85.1 118 117 |
n.a. n.a. 0.932 0.610 0.787 1.04 3.30 2.52 8.87 8.05 10.1 9.86 13.4 13.8 18.7 18.1 23.7 24.3 44.4 44.1 89.3 85.0 118 117 |
*Corrected for the mean turbidity of the blank samples
Since a response was observed in blank n-octanol, it was decided to correct for the mean turbidity of the blank samples. The samples at test item concentrations of 103 and 204 mg/L had a similar response. Therefore, these results were considered as background and omitted from the curve. Samples at a test item concentration of 4030, 5972 and 7922 mg/L were also omitted from the curve because using them resulted in a negative n-octanol solubility (not reported in detail). In the concentration range of 418 to 1986 mg/L, a linear relationship between response and test item concentration was observed. The equation of the regression line was:
Y = 0.0134 x A – 2.858 (r = 0.994, n = 12), where Y is the turbidity measured in NTU and A is the nominal concentration of the test item.
Since turbidity at 103 and 204 mg/L was similar, the mean response was calculated to be 0.843 NTU. This value was substituted in the regression line to obtain the concentration at which turbidity increases as a result of the addition of test item. This concentration is considered as the n-octanol solubility. It was 276 mg/L.
Description of key information
The n-octanol solubility of the test item was determined in a GLP-compliant study performed in accordance with a method equivalent or similar to OECD Guideline No. 105. (solubility measured in n-octanol instead of water). The n-octanol solubility of the test item at 20.0 ± 0.2°C was estimated to be 276 mg/L.
Key value for chemical safety assessment
- Solubility in organic solvents at 20°C:
- 276 mg/L
Additional information
The n-octanol solubility of the test item was determined in a GLP-compliant study performed in accordance with standard methods, without deviations. The study is considered as reliable (Klimisch 1) and is selected as a key study for the endpoint.
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