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EC number: 904-908-6 | 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:
- From October 3rd, 2018 to October 26th, 2018
- 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
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.95
- Temp.:
- 20 °C
- pH:
- >= 6.65 - <= 6.75
- Remarks on result:
- other: SD: ±0.12
- Conclusions:
- The partition coefficient (log Pow) of the test item at 20.0 ± 1.0 ºC and at pH 6.65 - 6.75 is 4.95 ± 0.12.
- Executive summary:
The partition coefficient (log Pow) of the test item was determined according to OECD 107 and EU method A.8 using the Shake flask method technique, under GLP conditions. The concentrations of the test item were determined in both phases by HPLC method, using a liquid chromatograph Shimadzu. The calculated value of the decimal logarithm of test item 1-octanol/water partition coefficient (log Pow) at 20.0 ± 1.0 °was C and at pH ranging 6.65 – 6.75 is 4.95 ± 0.12.
Reference
The test item stock solution was prepared in 1-octanol pre-saturated with water. The measured test item concentration in stock solution (1-octanol) was 5.4522 g/kg (4.4981 g/l). Density of 1-octanol (supplier data) is 0.825 g/l.
Table 1. Calibration solution:
Weight (mg) |
Dilution (mL) |
Cw(mg/mL |
Peak area |
Average peak area Aw |
f |
Average f |
|
20.11 |
25-1.0-25-1.0-10 |
0.00321438 |
317126 |
318500 |
317813 |
0.00001011 |
0.00000833 |
25-1.0-25-1.0-10-1.0-10 |
0.00032144 |
49337 |
48811 |
49074 |
0.00000655 |
Table 2. Study solution:
Sample
|
Weight of the sample [mg] |
Dilution [ml] |
Cp [mg/ml] |
Peak area |
Average peak area Ap |
X [g/kg] |
|
1/w |
1995.64 |
3 |
665.21 |
432 |
412 |
422 |
0.000006 |
2/w |
1994.47 |
3 |
664.82 |
471 |
493 |
482 |
0.000007 |
3/w |
2002.19 |
3 |
667.40 |
1100 |
1160 |
1130.0 |
0.000017 |
4/w |
1998.18 |
3 |
666.06 |
1103 |
1054 |
1078.5 |
0.000016 |
5/w |
1995.80 |
3 |
665.27 |
347 |
379 |
363 |
0.000006 |
6/w |
1985.47 |
3 |
661.82 |
358 |
342 |
350 |
0.000005 |
stock |
84.77 |
25-1.0-10 |
0.3730 |
221795 |
221964 |
221879.5 |
5.4522 |
1/o |
82.99 |
25 |
3.320 |
350873 |
344448 |
347660.5 |
0.8726 |
2/o |
80.72 |
25 |
3.229 |
334940 |
335978 |
335459.0 |
0.8657 |
3/o |
82.66 |
25 |
3.306 |
491093 |
491082 |
491087.5 |
1.2375 |
4/o |
81.85 |
25 |
3.274 |
526200 |
531165 |
528682.5 |
1.3455 |
5/o |
84.85 |
25 |
3.394 |
265641 |
268655 |
267148.0 |
0.6558 |
6/o |
87.21 |
25 |
3.488 |
258216 |
260687 |
259451.5 |
0.6197 |
Table 3. Results of measurements at 20±1.0 ºC
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
|
Temperature, °C |
20.1 |
20.1 |
20.1 |
||||
Volume of added stock solution, mL |
1 |
1 |
1 |
1 |
1 |
1 |
|
Volume of water, mL |
6 |
6 |
8 |
8 |
4 |
4 |
|
Volume of 1-octanol, mL |
5 |
5 |
3 |
3 |
7 |
7 |
|
Volume 1-octanol phase/volume of water phase |
1:1 |
1:2 |
2:1 |
||||
Test item concentration in water phase, g/l |
0.000006 |
0.000007 |
0.000017 |
0.000016 |
0.000006 |
0.000005 |
|
Test item concentration in 1-octanol phase, g/kg |
0.8726 |
0.8657 |
1.2375 |
1.3455 |
0.6558 |
0.6197 |
|
Test item concentration in 1-octanol phase, g/l |
0.7199 |
0.7142 |
1.0209 |
1.1100 |
0.5410 |
0.5113 |
|
Mass of test item in water phase x 10^3, g |
0.000036 |
0.000042 |
0.000136 |
0.000128 |
0.000024 |
0.000020 |
|
Mass of test item in 1-octanol phase x 10^3, g |
4.3194 |
4.2852 |
4.0838 |
4.4402 |
4.3283 |
4.0900 |
|
Mass of test item in both phases x 10^3, g |
4.3194 |
4.2852 |
4.0839 |
4.4403 |
4.3283 |
4.0900 |
|
Added mass of test item x10^3, g |
4.4981 |
4.4981 |
4.4981 |
4.4981 |
4.4981 |
4.4981 |
Table 4: Measured pH values of weater phase
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
pH before test |
6.34 |
6.34 |
6.34 |
6.34 |
6.34 |
6.34 |
pH after test |
6.65 |
6.64 |
6.50 |
6.73 |
6.75 |
6.75 |
Table 5: Calculated values of partition coefficient 1 -octanol/water:
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
Volume 1-octanol phase/volume of water phase |
1:1 |
1:2 |
2:1 |
|||
Pow= C1-octanol/Cwater |
119982.5 |
102028.9 |
60055.2 |
69377.3 |
90182.5 |
102250.5 |
Log Pow= Log (C1-octanol/Cwater) |
5.08 |
5.01 |
4.78 |
4.84 |
4.96 |
5.01 |
Average log Pow+ standard deviation |
5.04 ± 0.05 |
4.81 ± 0.04 |
4.98 ± 0.04 |
|||
Average log Pow+ standard deviation |
4.95 ± 0.12 |
Description of key information
Key study. OECD 107 and EU method A.8 using the shake flash method technique. GLP study. The partition coefficient (log Pow) of the test item at 20.0 ± 1.0 ºC and at pH 6.65 - 6.75 is 4.95 ± 0.12.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.95
- at the temperature of:
- 20 °C
Additional information
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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