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EC number: 226-122-6 | CAS number: 5285-60-9
- 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:
- from 23 May 2018 to 06 August 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: EU method A.24 (Partition coefficient (n-octanol / water), HPLC method)
- Version / remarks:
- 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.4
- Temp.:
- 20 °C
- pH:
- 9
- Remarks on result:
- other: Peak area of 99%
- Details on results:
- - Retention times of reference items used for calibration: see table below;
- Details of fitted regression line: log k' = 0.312 log Pow – 0.937 (r = 0.98, n= 16);
- Ression line: see illustration below;
- The chromatogram of test item showed one major peak (99%) and two small peaks (<1%).
- The log Pow for the major peak was reported as the log Pow of the substance.
- Average retention data for the test item: see table below;
- The value of log Pow obtained from duplicate measurements was within ± 0.1 log units. - Conclusions:
- The log Pow of the substance at pH 9 and ca. 20°C was determined to be 5.4. Pow= 2.4E5.
The log Pow at pH 9 and ca. 20°C for the impurities was determined to be 3.9 and 6.0. Pow= 7.5E3 and 9.5E5, resp.
- Executive summary:
The partition coefficient (n-octanol/water) of the substance was determined using the HPLC method. The study was performed in accordance with EC A.24, OECD 117 and OPPTS 830.7570 and in compliance with GLP. Formamide was used as unretained substance. For the construction of the regression line, eight references substances (log Pow range according to OECD TG 117: 1.1 to 6.5 at ca. 20°C) were used. Duplicate injections of unretained substance, reference substances and test item in an UPLC-UV system. Based on pKa, the study was performed at pH 9. The mobile phase was 75/25 (v/v) methanol/buffer pH 9 and the wavelength of detection was 210 nm. Each chromatogram of the substance showed one major peak (99%) and two small peaks (< 1%). Substituting the mean retention times in the regression line yielded log Pow values of 5.4 for the substance (major peak), and 3 .9 and 6.0 for the impurities. Pow= 2.4E5 (substance), 7.5E3 and 9.5E5 (impurities).
Reference
Table: Results Partition coefficient n-octanol-water (HPLC method)
Substance |
Retention time (min) |
log Pow |
Pow |
Peak area |
||
RT1 |
RT2 |
mean |
||||
Formamide (t0) |
0.578 |
0.578 |
0.578 |
|
|
|
Benzylalcohol |
0.700 |
0.681 |
0.691 |
1.1 |
|
|
Nitrobenzene |
0.830 |
0.792 |
0.811 |
1.9 |
|
|
Toluene |
1.263 |
1.161 |
1.212 |
2.7 |
|
|
1,4-Dichlorobenzene |
1.590 |
1.407 |
1.499 |
3.4 |
|
|
Biphenyl |
2.044 |
1.742 |
1.893 |
4.0 |
|
|
Dibenzyl |
3.106 |
2.529 |
2.818 |
4.8 |
|
|
Triphenylamine |
5.144 |
4.020 |
4.582 |
5.7 |
|
|
4,4’-DDT |
7.186 |
5.501 |
6.344 |
6.5 |
|
|
Test item – peak 1 |
1.664 |
1.654 |
1.659 |
3.9 |
7.5E3 |
0.20 |
Test item – peak 2 |
3.803 |
3.711 |
3.757 |
5.4 |
2.4E5 |
99 |
Test item – peak 3 |
5.585 |
5.374 |
5.480 |
6.0 |
9.5E5 |
0.63 |
Description of key information
Log Pow at 20°C: 5.4 (EC A.24, OECD 117, OPPTS 830.7570: HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.4
- at the temperature of:
- 20 °C
Additional information
The study was performed at pH 9. The mobile phase was 75/25 (v/v) methanol/buffer pH 9 and the wavelength of detection was 210 nm. Each chromatogram of the substance showed one major peak (99%) and two small peaks (< 1%). log Pow (major peak): 5.4; log Pow (impurities): 3.9 and 6.0.
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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