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EC number: 478-330-3 | CAS number: 95851-08-4
- 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
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Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 09-12-2019 to 05-02-2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed under GLP. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.23 Partition Coefficient (1-Octanol/Water): Slow-Stirring Method
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- inspected: August 2018 ; signature: November 2018
- Type of method:
- slow-stirring method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Type:
- log Pow
- Partition coefficient:
- ca. 5.97
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: basis of all constituent-isomers constituting one peak
- Conclusions:
- The octanol / water partition coefficient was determined to be log Pow = 5.97 at 25 ± 0.5 °C and ca. pH 7.0.
- Executive summary:
The partition coefficient of the substance was determined according to OECD TG 123 slow stirring method under GLP, at 25 ± 0.5 °C from three independent replicates (test vessels) with four to eight utilised out of up to eight sub-replicates (samples). The pH-value of the aqueous phases was determined by a pH-meter. The pH of the aqueous phase at t=212 : 55 (hours : mins) ; equilibration (before) was pH: 6.8 to 7.1 in all replicates and at t= 527 : 50 hours (hours : mins) ; equilibration (after) was pH: 6.9 – 7.2. Analytical evaluation was performed using GC-FID on a capillary analytical column using an internal calibration reference substance. The analytical method was validated. The linearity of the detector response with respect to concentration was assessed for aqueous and organic phases respectively, and satisfactory correlation coefficient (r) of 0.999 obtained. For each of the three test vessels, the slope of the correlation was tested statistically to ensure it did not differ significantly from zero. This was performed using the t-test and a probability value of P = 0.05 (6 [vessel 1] and 2 [vessels 2 and 3] degrees of freedom). A slope not significantly different from zero of at least 4 points verified the attainment of equilibrium. Mean log Pow values in the equilibration time for each replicate fell within a range of ± 0.3 log. Equilibrium was evident from 499 hours 20 minutes equilibration time. As equilibrium was confirmed, the mean log10 Pow, the standard deviation and variance was calculated for each vessel and then allowed the final variance weighted average and standard deviation to be calculated as the definitive result for the test. The octanol / water partition coefficient was determined to be log Pow = 5.97 at 25 ± 0.5 °C and ca. pH 7.0.
Reference
Description of key information
log Pow (slow stir) = 5.97 at 25 ± 0.5 °C and pH ca. 7.0, OECD TG 123, 2020
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.97
- at the temperature of:
- 25 °C
Additional information
Key study : OECD TG 123, 2020 : The partition coefficient of the substance was determined according to OECD TG 123 slow stirring method under GLP, at 25 ± 0.5 °C from three independent replicates (test vessels) with four to eight utilised out of up to eight sub-replicates (samples). The pH-value of the aqueous phases was determined by a pH-meter. The pH of the aqueous phase at t=212 : 55 (hours : mins) ; equilibration (before) was pH: 6.8 to 7.1 in all replicates and at t= 527 : 50 hours (hours : mins) ; equilibration (after) was pH: 6.9 – 7.2. Analytical evaluation was performed using GC-FID on a capillary analytical column using an internal calibration reference substance. The analytical method was validated. The linearity of the detector response with respect to concentration was assessed for aqueous and organic phases respectively, and satisfactory correlation coefficient (r) of 0.999 obtained. For each of the three test vessels, the slope of the correlation was tested statistically to ensure it did not differ significantly from zero. This was performed using the t-test and a probability value of P = 0.05 (6 [vessel 1] and 2 [vessels 2 and 3] degrees of freedom). A slope not significantly different from zero of at least 4 points verified the attainment of equilibrium. Mean log Pow values in the equilibration time for each replicate fell within a range of ± 0.3 log. Equilibrium was evident from 499 hours 20 minutes equilibration time. As equilibrium was confirmed, the mean log10 Pow, the standard deviation and variance was calculated for each vessel and then allowed the final variance weighted average and standard deviation to be calculated as the definitive result for the test. The octanol / water partition coefficient was determined to be log Pow = 5.97 at 25 ± 0.5 °C and ca. pH 7.0.
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