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EC number: 482-110-2 | 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:
- 18 November 2005 to 23 November 2005
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Remarks:
- OECD GLP
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.001
- Temp.:
- 23.4 °C
- pH:
- >= 6 - <= 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.9
- Temp.:
- 23.4 °C
- pH:
- >= 6 - <= 7
- Details on results:
- The partition coefficient was measured at 3 different Octanol / Water ratios in duplicate. Values for the partition coefficient were from 0.0012 to 0.0014; with a mean value of 0.0013; with log Kow between –2.86 and –2.92 and a mean value of – 2.90. The six log Kow values fall within a range of ± 0.3 units, in agreement with the OECD 107 Test Guideline.
Mass balance shows that most of the studied compound is in the aqueous layer, mean of 99.01 %, a result in agreement with its high solubility in water.
The pH in all aqueous layers was found to be between 6 - 7, and the ambient temperature during the experiment was from 23.3 to 23.5 °C. - Conclusions:
- Under the conditions of this study the partition coefficient, log Kow, was determined to be -2.90 at 23.4 °C, pH 6-7.
- Executive summary:
The octanol/water partitiion coefficient was investigated in accordance with the standardised guidelines OECD 107, under GLP conditions.
The octanol/water partition coefficient (Kow) is defined as the ratio of a chemical's concentration in the octanol phase to its concentration in the aqueous phase of a two-phase octanol/water system.
Partition coefficient was measured at three different Octanol/Water ratios in duplicate. Values for the partition coefficient range from 0.0012 to 0.0014; with a mean value of 0.0013; log Kow values are between –2.92 and –2.86 with a mean value of –2.90. The six log Kow values fall within a range of ± 0.3 units.
Mass balance shows that most of the test material was in the aqueous layer (mean of 99.01 %), a result in agreement with its high solubility in water.
Under the conditions of this study the partition coefficient, log Kow, was determined to be -2.90 at 23.4 °C, pH 6-7.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- December 19, 2003 to January 13, 2004
- 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)
- 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:
- 5.3
- Temp.:
- 27 °C
- Remarks on result:
- other: pH not reported
- Conclusions:
- Under the conditions of this study, the partition coefficient (log Pow) of the test material was determined to be 5.3.
- Executive summary:
The n-octanol/water coefficient (Pow) of the test material was investigated in accordance with the standardised guidelines OECD 117, under GLP conditions using an HPLC method.
A preliminary test was conducted to provide an estimation of the run time to be used during the definitive test. This was accomplished by injecting a mixture of the reference substances in the HPLC system and recording the chromatogram for 30 minutes. Thereafter, the solutions were injected in the following sequence: the mixture of reference substances, a blank (acetonitrile diluted 1:10 with the mobile phase), the formamide solution, the test solution (in duplicate), a blank (acetonitrile), the mixture of reference substances (reference substances were also injected separately during method validation), and the formamide solution. The run time for all solutions was established at 30 minutes.
Under the conditions of this study, the partition coefficient (log Pow) of the test material was determined to be 5.3, whicn represented peak number 1 (mean retention time: 10.942).
Referenceopen allclose all
The t0 was determined to be 1.830 minutes with a mean value of both measurements (1.833 and 1.827 minutes). The mean values of the retention times, k’ values, log k’ values, and log Pow values are summaried in the Table below.
The log Pow values calculated individually for each duplicate injection were identical for each peak of the reference substances and test material.
Calculated log Pow values for the partition coefficient test (n-octanol/water) with HEG-CL Catalyst.
Substance |
tr1 |
k’ |
log k’ |
log Pow2 |
Reference Substance |
|
|
|
|
Benzyl alcohol |
2.290 |
2.292 |
-0.5988 |
1.1 |
Toluene |
3.650 |
3.655 |
-0.0018 |
2.7 |
p-dichlorobenzene |
4.390 |
4.398 |
0.1465 |
3.4 |
1,2,4-Trichlorobenzene |
6.007 |
6.022 |
0.3592 |
4.2 |
Fluoranthene |
7.401 |
7.426 |
0.4845 |
4.7 |
Bibenzyl |
8.199 |
8.230 |
0.5427 |
4.8 |
Triphenylamine |
13.675 |
13.739 |
0.8123 |
5.7 |
2,4-DDT |
19.593 |
19.683 |
0.9882 |
6.2 |
Test material |
|
|
||
Peak 1 |
10.939 |
10.945 |
0.6972 |
5.3 |
1 Mean value of the retention times of the two reference substance or test substance chromatograms.
2 Reference substance log Pow values according to the OECD guideline.
Chromatographic peak areas from the partition coefficient test (n‑octanol/water) with test material
|
Area
|
||
Mean Retention Time |
Replicate 1 |
Replicate 2 |
Mean |
10.942 |
128.76134 |
128.88110 |
128.82122 |
Description of key information
Carter, T. (2005)
Under the conditions of this study the partition coefficient, log Kow, was determined to be -2.90 at 23.4 °C, pH 6-7.
Ward et al. (2004)
Under the conditions of this study, the partition coefficient (log Pow) of the test material was determined to be 5.3.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.3
- at the temperature of:
- 27 °C
Additional information
Carter, T. (2005)
The octanol/water partitiion coefficient was investigated in accordance with the standardised guidelines OECD 107, under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
The octanol/water partition coefficient (Kow) is defined as the ratio of a chemical's concentration in the octanol phase to its concentration in the aqueous phase of a two-phase octanol/water system.
Partition coefficient was measured at three different Octanol/Water ratios in duplicate. Values for the partition coefficient range from 0.0012 to 0.0014; with a mean value of 0.0013; log Kow values are between –2.92 and –2.86 with a mean value of –2.90. The six log Kow values fall within a range of ± 0.3 units.
Mass balance shows that most of the test material was in the aqueous layer (mean of 99.01 %), a result in agreement with its high solubility in water.
Under the conditions of this study the partition coefficient, log Kow, was determined to be -2.90 at 23.4 °C, pH 6-7.
Ward et al. (2004)
The n-octanol/water coefficient (Pow) of the test material was investigated in accordance with the standardised guidelines OECD 117, under GLP conditions using an HPLC method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
A preliminary test was conducted to provide an estimation of the run time to be used during the definitive test. This was accomplished by injecting a mixture of the reference substances in the HPLC system and recording the chromatogram for 30 minutes. Thereafter, the solutions were injected in the following sequence: the mixture of reference substances, a blank (acetonitrile diluted 1:10 with the mobile phase), the formamide solution, the test solution (in duplicate), a blank (acetonitrile), the mixture of reference substances (reference substances were also injected separately during method validation), and the formamide solution. The run time for all solutions was established at 30 minutes.
Under the conditions of this study, the partition coefficient (log Pow) of the test material was determined to be 5.3, whicn represented peak number 1 (mean retention time: 10.942).
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