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EC number: 203-310-6 | CAS number: 105-57-7
- 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 2018-03-20 to 2018-12-04
- 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 A.24
- 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:
- < 1
- Temp.:
- 20 °C
- pH:
- 7.1
- Conclusions:
- The partition coefficient of the test item was estimated to be to be below 1.0.
- Executive summary:
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. 0.2 mg of the test item were dissolved in 100 mL acetonitrile and an aliquot diluted from 0.75 mL to 1 mL with double distilled water. After equilibration of the HPLC system, the calibration mixture was injected twice, followed by the test chemical solution twice. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The partition coefficient of the test item was obtained by interpolation of the calculated capacity factor on the calibration graph of the reference items. The value determined for the partition coefficient n-octanol/water for the test item was 0.47. Due to the fact that the measured retention time of the test item was below the one of the reference item with the lowest log Pow (1.0, acetanilide) the partition coefficient of the test item at 20 °C and pH 7.1 could only be estimated, according to Regulation EC No. 440/2008 method A.8. and OECD Test Guideline 117, to be log Pow < 1.0.
Reference
Preliminary Test
The preliminary test at room temperature showed, that the octanol solubility of the test item was above 62.1 kg/L.
Table 1: Preliminary test for the octanol solubility
Amount of test item [g] |
Volume of octanol [mL] |
Stirring time at RT [min] |
Remark |
1.42 |
30 |
130 |
directly dissolved |
40.4 |
5 |
40 |
directly dissolved |
23.2 |
1 |
45 |
directly dissolved |
31.1 |
0.5 |
30 |
directly dissolved |
With the water solubility of 72 to 191 g/L, determined in the preliminary test of the water solubility study, and the solubility in octanol, determined in this study, the partition coefficient was estimated to be above 0.
For the determination of the log POW at this value the HPLC method was carried out.
Main Test
Table 2: Retention times of the test item
test item |
tR |
k |
log k |
log Pow |
Pow |
1st measurement |
1.921 |
0.118 |
-0.930 |
0.47 |
2.95 |
2nd measurement |
1.921 |
0.118 |
-0.930 |
0.47 |
2.94 |
mean value |
0.47 |
2.95 |
|||
standard deviation |
< 0.01 |
<0.01 |
Due to the fact that the measured retention time of the test item was below the one of the reference item with the lowest log Pow (1.0, acetanilide) the partition coefficient of the test item at 20 °C and pH 7.1 could only be estimated to be log Pow < 1.0.
Description of key information
The partition coefficient of the test item was estimated to be to be below 1.0.
Key value for chemical safety assessment
Additional information
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. 0.2 mg of the test item were dissolved in 100 mL acetonitrile and an aliquot diluted from 0.75 mL to 1 mL with double distilled water. After equilibration of the HPLC system, the calibration mixture was injected twice, followed by the test chemical solution twice. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The partition coefficient of the test item was obtained by interpolation of the calculated capacity factor on the calibration graph of the reference items. The value determined for the partition coefficient n-octanol/water for the test item was 0.47. Due to the fact that the measured retention time of the test item was below the one of the reference item with the lowest log Pow (1.0, acetanilide) the partition coefficient of the test item at 20 °C and pH 7.1 could only be estimated, according to Regulation EC No. 440/2008 method A.8. and OECD Test Guideline 117, to be log Pow < 1.0 (reference 4.7-1).
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