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EC number: 907-578-1 | 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:
- 09 April 2018 to 10 April 2018
- 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)
- Version / remarks:
- 2004
- Deviations:
- not specified
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Lot/batch No.of test material: A0076
- Expiration date of the lot/batch: 2021
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Ambient (15±10°C), protected from light
- Solubility and stability of the test substance in the solvent/vehicle: Not fully soluble in the solvents permitted for use by the OECD 117 guideline.
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: The sample was added to mobile phase (0.10g sample in 10mL mobile phase) and filtered to 0.45μm. This preparation was performed in duplicate. - Analytical method:
- high-performance liquid chromatography
- photometric method
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.21
- Remarks on result:
- other: weighted average
- Details on results:
- 7 peaks were detected with UV and 1 with RI. The log Pow values range from <0.00 to 5.07, values obtained by UV ranged from 2.66 – 5.07. The weighted average log Pow (obtained via UV) was 3.21 and the majority of peaks (5 out of 8) gave a log Pow >3.0. As detection by refractive index is significantly less sensitive than UV absorbance detection, it is poorly suited to analysis of low concentration analytes, therefore only measurements made by UV-VIS was used to determine the final Log Pow result in this study.
R2 values are 0.983 and 0.987 for UV and RI detectors respectively (validity criteria: R2 > 0.95). - Conclusions:
- The weighted average log Pow (obtained via UV) was 3.21 and the majority of peaks (5 out of 8) gave a log Pow >3.0.
- Executive summary:
The octanol/water partition coefficient of the reaction mass of amines, hydrogenated tallow alkyl and azelaic acid and lithium hydroxide was determined by the HPLC method according to OECD Guideline 117. As the test item was not fully soluble in the solvents permitted for use by the OECD 117 guideline, the sample was added to mobile phase (0.10 g sample in 10 mL mobile phase) and filtered to 0.45μm. This preparation was performed in duplicate. The eluate of each solution was then injected onto the HPLC column. Calibration was performed with 7 reference substances and retention times were measured with refractive index (RI) and ultraviolet (UV) detection. Seven peaks were detected with UV and 1 with RI. The log Pow values range from <0.00 to 5.07, values obtained by UV ranged from 2.66 – 5.07. The weighted average log Pow (obtained via UV) was 3.21 and the majority of peaks (5 out of 8) gave a log Pow >3.0. As detection by refractive index is significantly less sensitive than UV absorbance detection, it is poorly suited to analysis of low concentration analytes, therefore only measurements made by UV-VIS was used to determine the final Log Pow result in this study. This study is considered to be reliable without restriction (Klimisch 1) as it is conducted to a guideline method and no deviations are reported.
Reference
Table 1. Test material results
Sample | Detector | Retention time (mins) | Peak area (%) | k | log k | log Pow | |||||
Run 1 | Run 2 | Run 1 | Run 2 | Run 1 | Run 2 | Run 1 | Run 2 | Run 1 | Run 2 | ||
Peak 1 | RI | 2.960 | 2.967 | 100.00 | 100.00 | 0.12 | 0.12 | -0.94 | -0.93 | -2.39 | -2.35 |
Peak 2 | UV | 2.413 | 2.427 | 93.29 | 90.49 | -0.22 | -0.22 | nc | nc | nc | nc |
Peak 3 | UV | 9.227 | 9.273 | 2.05 | 5.42 | 1.98 | 1.99 | 0.30 | 0.30 | 2.66 | 2.68 |
Peak 4 | UV | 12.260 | 12.280 | 0.18 | 0.48 | 2.95 | 2.96 | 0.47 | 0.47 | 3.28 | 3.29 |
Peak 5 | UV | 13.120 | 13.093 | 0.26 | 0.33 | 3.23 | 3.22 | 0.51 | 0.51 | 3.42 | 3.42 |
Peak 6 | UV | 15.013 | 14.967 | 1.55 | 1.43 | 3.84 | 3.83 | 0.58 | 0.58 | 3.69 | 3.68 |
Peak 7 | UV | 16.020 | 18.433 | 1.55 | 0.49 | 4.17 | 4.95 | 0.62 | 0.69 | 3.81 | 4.08 |
Peak 8 | UV | 32.387 | 32.300 | 1.12 | 1.36 | 9.45 | 9.42 | 0.98 | 0.97 | 5.07 | 5.07 |
nc = Not calculated as k is negative (tr < t0)
Table 2. Calibration data
Substance | Retention time (mins) | k | log k | log Pow | |||
Detector | UV | RI | UV | RI | UV | RI | |
Thiourea | 3.100 | 2.654 | - | - | - | - | - |
Benzene | 6.797 | 7.030 | 1.19 | 1.65 | 0.08 | 0.22 | 2.1 |
Toluene | 9.174 | 9.420 | 1.96 | 2.55 | 0.29 | 0.41 | 2.7 |
Ethyl benzene | 12.254 | 12.527 | 2.95 | 3.72 | 0.47 | 0.57 | 3.2 |
Propyl benzene | 17.657 | 17.980 | 4.70 | 5.78 | 0.76 | 0.88 | 3.7 |
Butyl benzene | 26.464 | 26.874 | 7.54 | 9.13 | 0.88 | 0.96 | 4.6 |
4,4'-DDT | 66.437 | 67.137 | 20.43 | 24.30 | 1.31 | 1.39 | 6.5 |
The retention times used are the average of 2 values
log Pow results are reported from literature
Description of key information
The weighted average log Pow (obtained via UV) was 3.21 and the majority of peaks (5 out of 8) gave a log Pow >3.0.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.21
Additional information
The octanol/water partition coefficient of the reaction mass of amines, hydrogenated tallow alkyl and azelaic acid and lithium hydroxide was determined by the HPLC method according to OECD Guideline 117. As the test item was not fully soluble in the solvents permitted for use by the OECD 117 guideline, the sample was added to mobile phase (0.10 g sample in 10 mL mobile phase) and filtered to 0.45μm. This preparation was performed in duplicate. The eluate of each solution was then injected onto the HPLC column. Calibration was performed with 7 reference substances and retention times were measured with refractive index (RI) and ultraviolet (UV) detection. Seven peaks were detected with UV and 1 with RI. The log Pow values range from <0.00 to 5.07, values obtained by UV ranged from 2.66 – 5.07. The weighted average log Pow (obtained via UV) was 3.21 and the majority of peaks (5 out of 8) gave a log Pow >3.0. As detection by refractive index is significantly less sensitive than UV absorbance detection, it is poorly suited to analysis of low concentration analytes, therefore only measurements made by UV-VIS was used to determine the final Log Pow result in this study. This study is considered to be reliable without restriction (Klimisch 1) as it is conducted to a guideline method and no deviations are reported.
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