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Diss Factsheets
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EC number: 451-230-7 | 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
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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:
- 24-10-2003 to 14-11-2003
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed under GLP. All relevant validity criteria were met.
- 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)
- Remarks:
- inspected: December 2002; signature: February 2003
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.98
- Temp.:
- 40 °C
- pH:
- ca. 6.5
- Remarks on result:
- other: mean log Pow; (n=2)
- Conclusions:
- The partition coefficient of the test item was determined to be log Pow = 2.98 at 40°C and ca. pH 6.5
- Executive summary:
The n-octanol/water partition coefficient was determined using the HPLC method within OECD TG 117 and EU Method A.8 in accordance with GLP. The test was performed with a concentration of 10.27 g test item/L injected at 5 µL with a mobile phase of 70% methanol : 30% HPLC water. Samples of the test item were analysed via HPLC on a C18 column with variable wavelength detector. Calibration was performed using six reference items with known log POW values (given by the guidelines). The dead time of the HPLC system was determined with thiourea. The dead time and the reference items were measured in duplicate. The test item was injected and measured in duplicate. Three individual partition coefficient values for each of the three chromatographic resolved test item signals were derived. A mean value was calculated from these individual log Pow values which were determined to be 3.10, 3.36 and 3.40 respectively. The partition coefficient of the test item was determined to be in the log Pow range: 3.10 to 3.40 at a mean temperature 30°C and approximately neutral pH.
Reference
HPLC method
The mean void time (t0) was determined to be 1.623 minutes.
The results of the HPLC method are given in the Table 3. The calibration curves of the log k’ of the reference substances as function of log Pow had a regression line represented by the equations:
Calibration: log k’ = 0.290 × log Pow + -0.530 (r = 0.996, n = 6)
Table 2. Calibration data
Standard |
Retention Time (min) |
Capacity Factor (k') |
Log10 k' |
Log10 Pow |
||
Injection 1 |
Injection 2 |
Mean |
||||
Thiourea |
2.737 |
2.756 |
2.747 |
- |
- |
- |
Benzene |
6.113 |
6.112 |
6.113 |
1.23 |
0.0883 |
2.1 |
Toluene |
8.184 |
8.181 |
8.183 |
1.98 |
0.297 |
2.7 |
Naphthalene |
10.096 |
10.093 |
10.095 |
2.68 |
0.427 |
3.6 |
Phenanthrene |
19.421 |
19.431 |
19.426 |
6.07 |
0.783 |
4.5 |
Triphenylamine |
38.954 |
38.990 |
38.972 |
13.2 |
1.12 |
5.7 |
DDT |
55.366 |
55.419 |
55.393 |
19.2 |
1.28 |
6.2 |
Table 3. Test item determination
Peak |
Injection |
Retention Time (min) |
Capacity Factor (k') |
Log10 k' |
Log10 Pow |
Mean |
1 |
1 |
8.640 |
2.15 |
0.332 |
2.98 |
2.98 |
2 |
8.649 |
2.15 |
0.332 |
2.98 |
Overall log10 Pow: 2.98
Description of key information
log Pow = 2.98 at 40 °C and pH 6.5, OECD TG 117 - HPLC Method, 2003
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.98
- at the temperature of:
- 40 °C
Additional information
Key study : OECD TG 117, 2003 : The n-octanol/water partition coefficient was determined using the HPLC method within OECD TG 117 and EU Method A.8 in accordance with GLP. The test was performed with a mobile phase of 75% methanol : 25% HPLC water. Samples of the test item were analysed via HPLC on a ODS/C18 column with variable wavelength detector. Calibration was performed using six reference items with known log POW values (given by the guidelines). The dead time of the HPLC system was determined with thiourea. The dead time and the reference items were measured in duplicate. The test item was injected and measured in duplicate. One individual partition coefficient value for the chromatographic resolved test item signal was derived. A mean value was calculated from these individual log Pow values which were determined to be 2.98. The partition coefficient of the test item was determined to be log Pow : 2.98 at a mean temperature 40°C and pH 6.5.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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