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EC number: 946-410-1 | 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
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:
- 04 February - 02 April 2015
- 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:
- yes
- Remarks:
- method modified to allow assessment of the partition coefficient up to a value of log 10 Pow 10.0 by use of additional reference standards.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- yes
- Remarks:
- method modified to allow assessment of the partition coefficient up to a value of log 10 Pow 10.0 by use of additional reference standards.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- 0 - < 0
- Remarks on result:
- other: Temperature and pH not reported.
- Type:
- log Pow
- Partition coefficient:
- 6.02 - < 10
- Remarks on result:
- other: Temperature and pH not reported.
- Conclusions:
- The partition coefficient of the test item was assessed in accordance with OECD Guideline 117 and was been determined to be in the range of 1.04 x 10E06 to > 1.0 x 10E10 and a Log10 Pow of 6.02 to > 10.0.
- Executive summary:
GUIDELINE
The determination was carried out using the HPLC method, using a procedure designed to be compatible with Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004, and EU Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008.
METHOD
The test system consisted of a high performance liquid chromatograph with appropriate detectors. A reverse phase HPLC column with a very low percentage of polar groups was used. The method was modified from that stated in the guidelines to allow assessment of the partition coefficient up to a value of log10 Pow 10.0 by the use of additional reference standards.
CONCLUSION
The partition coefficient of the test item has been determined to be in the range of 1.04 x 10E06 to > 1.0 x 10E10 with a log10 Pow of 6.02 to > 10.0.
Reference
Preliminary estimate
The estimated Log10Pow for the representative structure and another structure present in the test item were calculated to be 5.97 and 14.62.
Definitive test
Calibration
The retention times of the dead time and the retention times, capacity factors (k') and log10 Pow values for the reference standards are shown in Tables 3.13 and 3.14 (attached).
Partition coefficient of sample
The retention times, capacity factors and Log10Pow values determined for the sample are shown in Table 3.15 (below).
Table 3.15 - Retention times, capacity factors and log10 Pow values determined for the sample
Peak Number |
Injection |
Retention Time (mins) |
Capacity Factor (k’) |
Log10k’ |
Log10Pow |
Mean Log10Pow |
Peak Area Normalization |
1 |
1 |
4.857 |
4.45 |
0.649 |
6.02 |
6.02 |
12.2% |
2 |
4.853 |
4.45 |
0.648 |
6.02 |
|||
2 |
1 |
5.133 |
4.77 |
0.678 |
6.12 |
6.13 |
2.4% |
2 |
5.170 |
4.81 |
0.682 |
6.14 |
|||
3 |
1 |
6.243 |
6.01 |
0.779 |
6.49 |
6.49 |
2.3% |
2 |
6.260 |
6.03 |
0.780 |
6.49 |
|||
4 |
1 |
6.530 |
6.33 |
0.802 |
6.57 |
6.57 |
23.0% |
2 |
6.530 |
6.33 |
0.802 |
6.57 |
|||
5 and 8 |
1 |
≥66.203 |
>73.4 |
>1.87 |
>10.0 |
>10.0 |
60.2% |
2 |
≥66.203 |
>73.4 |
>1.87 |
>10.0 |
Log10 Pow range: 6.02 to >10.0
Partition coefficient range: 1.04 x 10E06 to >1.0 X 10E10
Typical chromatograms and the calbration curve are attached.
Discussion
As the test item was a complex mixture and the result expected to be high, it was concluded that the HPLC method would be the most suitable for determination of partition coefficient The test was modified from that stated in the guidelines to allow assessment of the partition coefficient up to a value of log10 Pow 10.0 by the use of additional reference standards.
The mobile phase's pH was adjusted to approximately pH 3. Although the majority of the product components had no dissociation constants within the environmentally relevant pH range, one of the starting products contained a carboxylic acid group for which the acidic mobile phase was so that this was tested in a non-ionized form. The effect of the acidic mobile phase on the results for the majority of the product components compared to a neutral pH was considered insignificant
The peak area normalization is only approximate as ELSD response is not linear.
Description of key information
The partition coefficient of the test item was assessed in accordance with OECD Guideline 117 and was been determined to be in the range of 1.04 x 10E06 to > 1.0 x 10E10 and a Log10 Pow of 6.02 to > 10.0.
Key value for chemical safety assessment
Additional information
GUIDELINE
The determination was carried out using the HPLC method, using a procedure designed to be compatible with Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004, and EU Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008.
METHOD
The test system consisted of a high performance liquid chromatograph with appropriate detectors. A reverse phase HPLC column with a very low percentage of polar groups was used. The method was modified from that stated in the guidelines to allow assessment of the partition coefficient up to a value of log10 Pow 10.0 by the use of additional reference standards.
CONCLUSION
The partition coefficient of the test item has been determined to be in the range of 1.04 x 10E06 to > 1.0 x 10E10 with a log10 Pow of 6.02 to > 10.0.
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