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EC number: 291-768-8 | CAS number: 90480-35-6
- 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:
- 2017-02-28 to 2017-07-17
- 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:
- yes
- Remarks:
- Due to technical reasons, standards were injected separately instead of simultaneously.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- yes
- Remarks:
- see above
- 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:
- >= 0.759
- Temp.:
- 22.5 °C
- Remarks on result:
- other: log Pow for 1st signal
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.37
- Temp.:
- 22.5 °C
- Remarks on result:
- other: log Pow of first main signal
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.63
- Temp.:
- 22.5 °C
- Remarks on result:
- other: log Pow of 2nd main signal
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.48
- Temp.:
- 22.5 °C
- Remarks on result:
- other: log Pow of last signal
- Details on results:
- The result is the mean of two injections, and 2 calibrations.
The validity criteria were met. - Conclusions:
- The log Pow of the test item was determined to be in the range of: 0.759 to 5.48, determined at 22.5°C, with 4.37 for the first main signal (17.50 Area%) and 4.63 for the second main signal (48.18 Area%).
- Executive summary:
In the current study the partition coefficient of the test item was determined according to OECD TG 117 and Method A.8. The test was performed with 100 mg/L of the test item in 75 % methanol : 25% HPLC water. Samples of the test item were analysed via HPLC on a C18 column with diode array detection.
Calibration was performed using 7 reference items with known log Pow values. The reference items were measured twice, first in a sequence of ascending log Pow values and second in a sequence with descending values. The void time of the HPLC system was determined with sodium nitrate in triplicate.
For each of these test item signals, two individual log Pow values were derived under consideration of the first and second calibration and a mean value was calculated from these individual log Pow values.
The validity criteria were met. The mean column temperature was 22.5 °C.
The substance is an UVCB, hence, different signals were observed. The log Pow of the test item was determined to be in the range of: 0.759 to 5.48 with 4.37 for the first main signal and 4.63 for the second main signal.
Reference
The calibration data of the reference items are given below:
Reference item | log Pow | 1st calibration | 2nd calibration | ||||
retention time (min) | k | log k | retention time (min) | k | log k | ||
2-Butanone | 0.3 | 1.164 | 0.741 | -0.130 | 1.162 | 0.738 | -0.132 |
Benzyl alcohol | 1.1 | 1.249 | 0.868 | -0.0615 | 1.247 | 0.865 | -0.0630 |
Toluene | 2.7 | 3.431 | 4.13 | 0.616 | 3.427 | 4.13 | 0.615 |
Ethylbenzene | 3.2 | 4.659 | 5.97 | 0.776 | 4.654 | 5.96 | 0.775 |
n-Butylbenzene | 4.6 | 10.613 | 14.9 | 1.17 | 10.604 | 14.9 | 1.17 |
Triphenylamine | 5.7 | 20.998 | 30.4 | 1.48 | 20.994 | 30.4 | 1.48 |
4,4'-DDT | 6.5 | 28.124 | 41.1 | 1.61 | 28.107 | 41.0 | 1.61 |
Both calibrations have an R value > 0.9 as determined by linear regression.
Multiple signals were observed. Results of the test item analysis; retention times, capacity factors and partition coefficients of all measured signals are as follows:
log Pow | ||||||
Signal | retention time (min) | k | log k | calibration 1 | calibration 2 | Mean |
1s signal | 1.283 | 0.919 | -0.0367 | 0.756 ± 0.178 0.300 to 1.21 (95% Cl) | 0.762 ± 0.177 0.306 to 1.22 (95% Cl) | 0.759 |
1.284 | 0.92 | -0.0362 | ||||
1st main signal | 8.273 | 11.4 | 1.0569 | 4.36 ± 0.12 4.06 to 4.67 (95 % Cl) | 4.37 ±0.12 4.06 to 4.67 (95 % Cl) | 4.37 |
8.271 | 11.4 | 1.0569 | ||||
2nd main signal | 9.817 | 13.7 | 1.1367 | 4.63 ±0.13 4.30 to 4.95 (95 % Cl) | 4.63 ±0.13 4.31 to 4.95 (95 % Cl) | 4.63 |
10 | 13.7 | 1.1367 | ||||
last signal | 17.491 | 25.2 | 1.4014 | 5.48 ±0.15 5.09 to 5.88 (95 % Cl) | 5.48 ±0.15 5.09 to 5.88 (95 % Cl) | 5.48 |
17.484 | 25.1 | 1.3997 |
Description of key information
One study is available in which the partition coefficient was determined according to OECD 117, HPLC method. Since the substance is an UVCB, multiple peaks were observed. The log Pow of the test item was determined to be in the range of 0.759 to 5.48, with 4.37 for the first main signal (17.5 area %) and 4.63 for the second main signal (48.18 area%).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.63
- at the temperature of:
- 22.5 °C
Additional information
There is one study available for this endpoint. The partition coefficient of the test item was determined according to OECD TG 117 and Method A.8 (HPLC).
For each of these test item signals, two individual log Pow values were derived under consideration of the first and second calibration and a mean value was calculated from these individual log Pow values.
The log Pow of the test item was determined to be in the range of 0.759 to 5.48. As key value the log Kow corresponding to the peak with the largest area % (48.18%) was used: 4.63.
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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