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EC number: 202-635-0 | CAS number: 98-08-8
- 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
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from 2018-11-12 to 2018-11-20
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- EU Method A.24
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.01
- Temp.:
- 20 °C
- pH:
- ca. 10
- Type:
- Pow
- Partition coefficient:
- 1 031
- Temp.:
- 20 °C
- pH:
- ca. 10
- Details on results:
- In the course of the study the partition coefficient (Pow) of the test item was determined using high performance liquid chromatography.
The determined log Pow: 3.01 ± 0.001 (95 % confidence interval).
The estimated Pow: 1031 ± 3.10 (95 % confidence interval). - Conclusions:
- The partition coefficient logPow of the test item was determined to be 3.01 at 20 °C.
- Executive summary:
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 2016/266 method A.24 to determine the partition coefficient of the test item using the HPLC method. A solution of the test substance was prepared in acetonitrile - 10 µg/mL. After equilibration of the HPLC system, three series of the reference solutions and then three series of the test item solution were measured with two parallel injections each. The retention times were determined. The three calibration series and three test item series were measured alternately. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The value found for the partition coefficient n-octanol/water is 3.01 at 20 °C.
Reference
Table 1.: Measured and calculated data of the test item
Test Item name |
Retention time (min) |
log k |
log Pow |
Pow |
Repeatability log unit |
Calculated |
|||||
Test Item |
11.52 |
0.539 |
3.01 |
1035 |
0.002 |
11.52 |
0.539 |
3.01 |
1035 |
||
11.50 |
0.538 |
3.01 |
1029 |
||
11.50 |
0.538 |
3.01 |
1029 |
||
11.50 |
0.538 |
3.01 |
1029 |
||
11.50 |
0.538 |
3.01 |
1029 |
||
Mean |
11.51 |
0.538 |
3.01 |
1031 |
- |
Conf.int. (95 %) |
0.01 |
- |
0.001 |
3.10 |
- |
CV% |
0.09 |
- |
- |
- |
- |
Description of key information
The partition coefficient logPow of the test item was determined to be 3.01 at 20 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.01
- at the temperature of:
- 20 °C
Additional information
A study (reference 4.7-1) was conducted in accordance with OECD TG 117 and Regulation (EC) No 2016/266 method A.24 to determine the partition coefficient of the test item using the HPLC method. A solution of the test substance was prepared in acetonitrile - 10 µg/mL. After equilibration of the HPLC system, three series of the reference solutions and then three series of the test item solution were measured with two parallel injections each. The retention times were determined. The three calibration series and three test item series were measured alternately. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The value found for the partition coefficient n-octanol/water is 3.01 at 20 °C.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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