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EC number: 270-109-8 | CAS number: 68411-20-1
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 5.9
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: concentration-weigted mean value
- Details on results:
- For partition coefficient of the test item Butanal, reaction products with aniline follows:
Range of main peaks of the test item determined by HPLC, RT = 7.1 - 41.6 minutes.
Log Pow = 4.3 - 7.9
Partition coefficient of main peaks of Butanal, reaction products with aniline determined by HPLC, calculated with area % and their corresponding Log Pow.
Log Pow = 5.9 - Conclusions:
- The partition coefficient (Pow) of the test item was determined according to EU Method A.8 (Partition Coefficient) which is equivalent or similar to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method). The determined partition coefficient (Log Pow) is in the range of 4.3 to 7.9, yielding a mean value of 5.9 (concentration weighed). These results indicate accumulation potential of the substance in the environment.
- Executive summary:
The partition coefficient (Pow) of the test item was determined according to EU Method A.8 (Partition Coefficient) which is equivalent or similar to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method).
The reference Pow-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow- values of reference substances determined at 25 °C. As no calibration standard with log Pow > 5.7 is established in the EG-test method, a new reference substance Bis(2-ethylhexyl) phthalate was used in this test. For this reference substance the log Pow-value was determined by the slow stirring method. The value of log Pow = 7.5 for Bis(2-ethylhexyl) phthalate was published by Jack de Bruin, Frans Busser, Willem Seinen and Joop Hermens in the ‘Environmental Toxicology and Chemistry, Vol 8, pp 499-512, 1989.
The chromatogram of the test item showed a resolved band of 6 signals.
Although the determined value does not exactly meet the range of application of the test guideline (0.3 - 7.5), we consider the value as valid (measurement uncertainty +/- 0,5 log units).
For partition coefficient of the test item Butanal, reaction products with aniline follows:
Range of main peaks of the test item determined by HPLC, RT = 7.1 - 41.6 minutes. Log Pow = 4.3 - 7.9
Partition coefficient of main peaks of Butanal, reaction products with aniline determined by HPLC, calculated with area % and their corresponding Log Pow =5.9.
Reference
Partition coefficient of main peaks of the test item Butanal, reaction products with aniline determined by HPLC, calculated with area % and their correspondence Log Pow.
Retention time [min.] | Area [ % ] | Log Pow | Log Pow (averange value of all peaks) |
7.116 | 9.3271 | 4.34 | |
9.409 | 15.3339 | 5.00 | |
10.952 | 31.5725 | 5.32 | |
21.149 | 31.0343 | 6.63 | |
23.397 | 3.4124 | 6.82 | |
41.638 | 9.3198 | 7.86 | |
Sum: 100.0 | 5.9 |
Description of key information
The partition coefficient (Pow) of the test item was determined according to EU Method A.8 (Partition Coefficient) which is equivalent or similar to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method). The determined partition coefficient (Log Pow) is in the range of 4.3 to 7.9, yielding a mean value of 5.9 (concentration weighed).
The logPow of the final hydrolysis product 3-ethyl-2-propylquinoline was estimated to be 4.71.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.9
- at the temperature of:
- 25 °C
Additional information
The partition coefficient (Pow) of the test item was determined according to EU Method A.8 (Partition Coefficient) which is equivalent or similar to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method). The reference Pow-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow- values of reference substances determined at 25 °C. As no calibration standard with log Pow > 5.7 is established in the EG-test method, a new reference substance Bis(2-ethylhexyl) phthalate was used in this test. For this reference substance the log Pow-value was determined by the slow stirring method. The value of log Pow = 7.5 for Bis(2-ethylhexyl) phthalate was published by Jack de Bruin, Frans Busser, Willem Seinen and Joop Hermens in the ‘Environmental Toxicology and Chemistry, Vol 8, pp 499-512, 1989. The chromatogram of the test item showed a resolved band of 6 signals. Although the determined value does not exactly meet the range of application of the test guideline (0.3 - 7.5), we consider the value as valid (measurement uncertainty +/- 0,5 log units).
For partition coefficient of the test item Butanal, reaction products with aniline follows:
Range of main peaks of the test item determined by HPLC, RT = 7.1 - 41.6 minutes. Log Pow = 4.3 - 7.9
Partition coefficient of main peaks of Butanal, reaction products with aniline determined by HPLC, calculated with area % and their corresponding Log Pow =5.9.
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