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EC number: 278-115-2 | CAS number: 75199-13-2
- 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:
- 16 May to 21 May, 2019
- 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
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- Regulation EC No. 440/2008
- Qualifier:
- according to guideline
- Guideline:
- other: Method A.24
- Version / remarks:
- Regulation EC No. 2016/266
- Principles of method if other than guideline:
- The suitable method will be decided on the basis of the preliminary test results.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 5.87
- Temp.:
- 20 °C
- pH:
- 7.1
- Details on results:
- PRELIMINARY TESTS
The preliminary test at room temperature showed, that the water solubility of the test item was below 7.86 mg/l. The observations of the preliminary test are:
Amount of test item [mg] Volume of water [ml] Stirring time [d] Remark
9.05 100 7 not dissolved
4.68 250 7 not dissolved
3.93 500 7 not dissolved
The preliminary test at room temperature showed, that the octanol solubility of the test item was below 1.73 g/l. The observations of the preliminary test are:
Amount of test item [mg] Added volume of octanol [ml] Stirring time at RT [min] Remark
130 5 40 not dissolved
20 45 not dissolved
50 985 not dissolved
With a water solubility of less than 7.86 mg/l and the solubility in octanol of less than 1.73 g/l, determined from these preliminary tests, the partition coefficient can be estimated to be ca. 2.3.
For the determination of the log Pow value at this value, the HPLC method is recommended and carried out.
MAIN TEST
After the measurements of the retention times, tR, the log k values of the reference items were plotted as a function of their log Pow values. The partition coefficient of the test item was obtained by interpolation of the calculated capacity factor on the calibration graph of the reference items.
1st run 2nd run mean value
t0 (min) 1.639 1.639 1.639
reference item (1st meas.) tR k log k log Pow[1]
Acetanilide 2.027 0.237 -0.626 1.0
4-Methyl benzyl alcohol 2.167 0.322 -0.492 1.6
Cinnamyl alcohol 2.197 0.340 -0.468 1.9
Allyl phenyl ether 3.177 0.938 -0.028 2.9
Diphenyl ether 4.131 1.520 0.182 4.2
Fluoranthene 6.945 3.237 0.510 5.1
4,4’ DDT 9.397 4.733 0.675 6.5
The first measurement and the linear regression of the calibration graph leads to an equation for the log Pow of log Pow = 3.882 × log k + 3.451 (correlation coefficient, r, = 0.9884).
reference item (2nd meas.) tR k log k log Pow1
Acetanilide 2.029 0.238 -0.624 1.0
4-Methyl benzyl alcohol 2.168 0.323 -0.491 1.6
Cinnamyl alcohol 2.197 0.340 -0.468 1.9
Allyl phenyl ether 3.181 0.941 -0.026 2.9
Diphenyl ether 4.132 1.521 0.182 4.2
Fluoranthene 6.936 3.232 0.509 5.1
4,4’ DDT 9.386 4.727 0.675 6.5
The second measurement and the linear regression of the calibration graph leads to an equation for the log Pow value of log Pow = 3.888 × log k + 3.449 (correlation coefficient, r, = 0.9883).
With the determined regression coefficients a and b, the log Pow of the test item can be calculated for both measurements.
Test item tR k log k log Pow Pow (1st meas.)
1st meas. 8.525 4.201 0.623 5.87 742623
2nd meas. 8.509 4.192 0.622 5.87 739524
mean value 5.87 741074
standard deviation < 0.01 1550
The test item has a partition coefficient of log Pow = 5.87 ± < 0.01 at 20 °C and pH 7.1. - Conclusions:
- The partition coefficient of the test item is: log Pow = 5.87 ± < 0.01 at 20 °C and pH 7.1.
- Executive summary:
The partition coefficient of the test item was determined by HPLC method, according to the EU method A.8 (2008), EU method A.24 (2016) and OECD guideline 117 (2004).
The partition coefficient of the test item was found to be: log Pow = 5.87 ± < 0.01 at 20 °C and pH 7.1.
Reference
Description of key information
log Pow = 5.87 ± < 0.01 at 20 °C and pH 7.1
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.87
- at the temperature of:
- 20 °C
Additional information
EU method A.8 (2008), EU method A.24 (2016) and OECD guideline 117 (2004).
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