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EC number: 210-047-0 | CAS number: 603-52-1
- 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:
- March 6, 2017 - March 15, 2017
- 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:
- ca. 3.33
- Temp.:
- 20 °C
- pH:
- >= 6.41 - <= 6.69
- Conclusions:
- The calculated value of logarithm to the base 10 of the test item partition coefficient 1-octanol/water (log Pow) at 20.0 ºC and at pH ranging from 6.41 to 6.69 in water is 3.33 ± 0.01.
- Executive summary:
The determination of partition coefficient 1-octanol/water was performed according to OECD 107 and EU method A.8 (flask method), following GLP. The concentrations of test item were determined in both phases by HPLC method, using a liquid chromatograph Spectra-Physics. The calculated value of logarithm to the base 10 of the test item partition coefficient 1-octanol/water (log Pow) at 20.0 ºC and at pH ranging from 6.41 to 6.69 in water is 3.33 ± 0.01.
Reference
The test item stock solution was prepared in water pre-saturated with 1-octanol presaturated with water. The measured Ethyl diphenylcarbamate concentration in stock solution (1 -octanol) was 5.6925 g/kg (4.6963 g/L). Density of 1-octanol (supplier data) is 0.825 g/L.
Determination of Ethyl diphenylcarbamate contentin water phase and 1-octanol phase.
Table 1: Calibration solution
Weight [mg] |
Dilution [mL] |
Cw [mg/mL] |
Peak area |
Average peak area Aw |
f |
Average f |
|
22.05 |
25-1-25-2-10 |
0,00663264 |
793735 |
794821 |
794278 |
0,00000835 |
0.00000828 |
25-1-25-3-10 |
0,00994896 |
1211352 |
1210161 |
1210756,5 |
0,00000822 |
||
25-1-25-0,1-10-2,5-5 |
0,00016582 |
26966 |
26930 |
26948 |
0,00000615 |
0.00000619 |
|
25-1-25-0,1-10 |
0,00033163 |
53038 |
53336 |
53187 |
0,00000624 |
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 |
1004.15 |
5 |
200.83 |
13417 |
13018 |
13217.5 |
0.00041 |
2/w |
1001.60 |
5 |
200.32 |
12806 |
12774 |
12790 |
0.00040 |
3/w |
994.45 |
5 |
198.89 |
20059 |
20141 |
20100 |
0.00063 |
4/w |
1006.00 |
5 |
201.2 |
20331 |
19997 |
20164 |
0.00062 |
5/w |
1003.15 |
5 |
200.63 |
9946 |
9889 |
9917.5 |
0.00031 |
6/w |
1004.30 |
5 |
200.86 |
9908 |
10052 |
9980 |
0.00031 |
stock |
158.6 |
10-1-10 |
1.586 |
1091049 |
1088682 |
1089865.5 |
5.6925 |
1/o |
79.10 |
10 |
7.910 |
1018915 |
1020093 |
1019504 |
1.0677 |
2/o |
77.80 |
10 |
7.780 |
978796 |
978312 |
978554 |
1.0419 |
3/o |
78.30 |
10 |
7.830 |
1514131 |
1517562 |
1515846.5 |
1.6037 |
4/o |
82.10 |
10 |
8.210 |
1579298 |
1582390 |
1580844 |
1.5951 |
5/o |
79.95 |
10 |
7.995 |
759368 |
757129 |
758248.5 |
0.7856 |
6/o |
82.25 |
10 |
8.225 |
774006 |
773938 |
773972 |
0.7795 |
Table 3. Results of measurements at 20.0°C
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
|
Temperature,°C |
19.7 |
19.9 |
20.1 |
||||
Volume of added stock solution, mL |
1 |
1 |
1 |
1 |
1 |
1 |
|
Volume of water, mL |
5 |
5 |
6.7 |
6.7 |
3.3 |
3.3 |
|
Volume of 1-octanol, mL |
4 |
4 |
2.3 |
2.3 |
5.7 |
5.7 |
|
Volume 1-octanol phase/ volume of water phase |
1:1 |
1:2 |
2:1 |
||||
Ethyl diphenylcarbamateconcentration in water phase, g/L |
0.00041 |
0.00040 |
0.00063 |
0.00062 |
0.00031 |
0.00031 |
|
Ethyl diphenylcarbamateconcentration in 1-octanol phase, g/kg |
1.0677 |
1.0419 |
1.6037 |
1.5951 |
0.7856 |
0.7795 |
|
Ethyl diphenylcarbamateconcentration in 1-octanol phase, g/L |
0.8809 |
0.8596 |
1.3231 |
1.3160 |
0.6481 |
0.6431 |
|
Mass ofEthyl diphenylcarbamatein water phase∙103, g |
0.0021 |
0.0020 |
0.0042 |
0.0042 |
0.0010 |
0.0010 |
|
Mass ofEthyl diphenylcarbamatein 1-octanol phase∙103, g |
4.4045 |
4.2980 |
4.3662 |
4.3428 |
4.3423 |
4.3088 |
|
Mass ofEthyl diphenylcarbamatein both phases∙103, g |
4.4066 |
4.3000 |
4.3704 |
4.3470 |
4.3433 |
4.3098 |
|
Added mass ofEthyl diphenylcarbamate∙103, g |
4.6963 |
4.6963 |
4.6963 |
4.6963 |
4.6963 |
4.6963 |
Table 4. Measured pH values of water phase
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
pH before test |
6.18 |
6.18 |
6.18 |
6.18 |
6.18 |
6.18 |
pH after test |
6.69 |
6.66 |
6.41 |
6.42 |
6.60 |
6.63 |
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 |
2149 |
2149 |
2100 |
2123 |
2091 |
2075 |
log Pow= log(C1-octanol/Cwater) |
3.33 |
3.33 |
3.32 |
3.33 |
3.32 |
3.32 |
Average log Pow+ standard deviation |
3.33 ± 0.00 |
3.33 ± 0.01 |
3.32 ± 0.00 |
|||
Average log Pow+ standard deviation |
3.33±0.01 |
Description of key information
Key study: OECD 107 and EU method A.8. GLP study. The calculated value of logarithm to the base 10 of the test item partition coefficient 1-octanol/water (log Pow) at 20.0 ºC and at pH ranging from 6.41 to 6.69 in water is 3.33 ± 0.01.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.33
- at the temperature of:
- 20 °C
Additional information
Key study: The determination of partition coefficient 1-octanol/water was performed according to OECD 107 and EU method A.8 (flask method), following GLP. The concentrations of test item were determined in both phases by HPLC method, using a liquid chromatograph Spectra-Physics. The calculated value of logarithm to the base 10 of the test item partition coefficient 1-octanol/water (log Pow) at 20.0 ºC and at pH ranging from 6.41 to 6.69 in water is 3.33 ± 0.01.
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