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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 September 12, 2022 to November 02, 2022
- 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:
- yes
- Remarks:
- One deviation was observed during this study For the analytical validation at the LOQ (n-octanol pre-satured distilled water), the average recoveries of compound 5 is very slightly higher than acceptance criteria of 120%: 123.6 % but the results indicate
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Remarks:
- Shake-Flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 2.7 - < 3.96
- Temp.:
- 20 °C
- pH:
- >= 6.79 - <= 7.035
- Type:
- log Pow
- Partition coefficient:
- 2.7
- Temp.:
- 22.08 °C
- pH:
- >= 6.79 - <= 7.035
- Remarks on result:
- other: Compound 1
- Type:
- log Pow
- Partition coefficient:
- 2.77
- Temp.:
- 22.08 °C
- pH:
- >= 6.79 - <= 7.035
- Remarks on result:
- other: Compound 2
- Type:
- log Pow
- Partition coefficient:
- >= 3.96
- Temp.:
- 22.08 °C
- pH:
- >= 6.79 - <= 7.035
- Remarks on result:
- other: Compound 3
- Type:
- log Pow
- Partition coefficient:
- 3.01
- Temp.:
- 22.08 °C
- pH:
- >= 6.79 - <= 7.035
- Remarks on result:
- other: Compound 4
- Type:
- log Pow
- Partition coefficient:
- >= 3.25
- Temp.:
- 22.08 °C
- pH:
- >= 6.79 - <= 7.035
- Remarks on result:
- other: Compound 5
- Conclusions:
- The octanol/water partition coefficient (Log Pow) of test item was determined to be comprised between 2.70 and > 3.96 at 20 ± 1°C under the stated test conditions.
- Executive summary:
The aim of this study was to determine experimentally the partition coefficient (logPow) on the test item ”L-Leucine, reaction products with 1,4:3,6-dianhydro-D-glucitol, iso-Pr alc. and octanoyl chloride” according to the OECD 107 guideline. The test item was analysed by GC/FID after a step of derivatization.
The study was carried out in accordance with the study plan No.21/1139F/b dated May 24, 2022.
There was one deviation and no amendment during this study.
The results of this study are summarized below:
As the test item is a UVCB composed by different chemical structures, the analytical validation was performed on five compounds of relevant and representative constituents contained in the test item in agreement with the sponsor. These compounds are presented below:
Compound to quantify
Retention times
Compound No.01
Approx. 24.45 min
Compound No.02
Approx. 24.7 min
Compound No.03
Approx. 31.6 min
Compound No.04
Approx. 32.45 min
Compound No.05
Approx. 38.0 min
The table below presents the partition coefficient (logPow) of compounds selected and representative of the test item:
Compound 1:
Test condition
Log Pow
Mean values of partition coefficient Log Pow
Mean
Log Pow
Standard deviation
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water
2.84
2.83
2.70(1)
0.110(1)
2.81
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water
2.68
2.68
2.68
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water
2.55
2.59
2.62
(1) Arihmetic mean and standard deviation were obtained from 6 values of log Pow.
Acceptance criteria
Results
Conformity
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units.
Mean Log Pow = 2.70
Yes
Compound 2:
Test condition
Log Pow
Mean values of partition coefficient Log Pow
Mean
Log Pow
Standard deviation
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water
2.90
2.92
2.77(1)
0.128(1)
2.94
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water
2.78
2.75
2.71
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water
2.60
2.66
2.71
(1) Arihmetic mean and standard deviation were obtained from 6 values of log Pow.
Acceptance criteria
Results
Conformity
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units.
Mean Log Pow = 2.77
Yes
Compound 3:
Test condition
Log Pow
Mean values of partition coefficient Log Pow
Mean
Log Pow
Standard deviation
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water
> 4.00
> 3.96
> 3.96
NA
> 3.96
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water
> 3.96
> 3.96
> 3.96
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water
> 3.99
> 3.98
> 3.98
Acceptance criteria
Results
Conformity
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units.
Mean Log Pow = > 3.96
NA
NA: Non applicable
Compound 4:
Test condition
Log Pow
Mean values of partition coefficient Log Pow
Mean
Log Pow
Standard deviation
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water
3.16
3.14
3.01 (1)
0.133(1)
3.11
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water
3.04
3.04
3.04
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water
2.80
2.86
2.91
(1) Arihmetic mean and standard deviation were obtained from 6 values of log Pow.
Acceptance criteria
Results
Conformity
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units.
Mean Log Pow = 3.01
Yes
NA: Non applicable
Compound 5:
Test condition
Log Pow
Mean values of partition coefficient Log Pow
Mean
Log Pow
Standard deviation
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water
> 3.19
> 3.23
> 3.25
NA
> 3.27
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water
> 3.28
> 3.24
> 3.19
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water
> 3.27
> 3.27
> 3.27
Acceptance criteria
Results
Conformity
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units.
Mean Log Pow = > 3.25
NA
NA: Non applicable
Reference
1. Compound 1
1.1. First run
4 mL of stock solution in n-octanol pre-saturated with distilled water at 1,171 mg/L which corresponds to 4.68 mg of compound 1 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented below:
Chart no.1: Chemical analysis in First run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Oct | 4 | 36.36 | 909.0 | 3.64 |
21/1139F/3/b/400-4 mL Oct/2 ph Oct | 4 | 34.24 | 856.0 | 3.42 |
Chart no.2: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Aq | 400 | 76.29 | 1.91 | 0.76 |
21/1139F/3/b/400-4 mL Oct/2 ph Aq | 400 | 71.92 | 1.80 | 0.72 |
Chart no.3: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400-4 mL Oct/1 | 4.68 | 0.76 | 3.64 | 4.40 | 94.0 |
21/1139F/3/b/400-4 mL Oct/2 | 4.68 | 0.72 | 3.42 | 4.14 | 88.5 |
Chart no.4: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-4 mL Oct/1 | 1.91 | 909.0 | 475.916 | 2.68 |
21/1139F/3/b/400-4 mL Oct/2 | 1.80 | 856.0 | 475.556 | 2.68 |
Chart no.5: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-4 mL Oct/1 | 7.08 at 22.0°C | 6.68 at 22.4°C |
21/1139F/3/b/400-4 mL Oct/2 | 6.99 at 22.2°C | 6.77 at 22.4°C |
1.2. Second run
8 mL of stock solution in n-octanol pre-saturated with distilled water at 1,171 mg/L which corresponds to 9.37 mg of compound 1 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.6: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Oct | 8 | 39.90 | 997.5 | 7.98 |
21/1139F/3/b/400-8 mL Oct/2 ph Oct | 8 | 40.14 | 1003.5 | 8.03 |
Chart no.72: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Aq | 400 | 89.50 | 2.80 | 1.12 |
21/1139F/3/b/400-8 mL Oct/2 ph Aq | 400 | 76.02 | 2.38 | 0.95 |
Chart no.8: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 8 mL Oct/1 | 9.37 | 1.12 | 7.98 | 9.10 | 97.1 |
21/1139F/3/b/400-8 mL Oct/2 | 9.37 | 0.95 | 8.03 | 8.98 | 95.8 |
Chart no.9: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-8 mL Oct/1 | 2.80 | 997.5 | 356.250 | 2.55 |
21/1139F/3/b/400-8 mL Oct/2 | 2.38 | 1003.5 | 421.639 | 2.62 |
Chart no.10: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-8 mL Oct/1 | 7.08 at 22.0°C | 7.07 at 21.9°C |
21/1139F/3/b/400-8 mL Oct/2 | 6.99 at 22.2°C | 6.91 at 22.0°C |
1.3. Third run
2 mL of stock solution in n-octanol pre-saturated with distilled water at 1,171 mg/L which corresponds to 2.34 mg of compound 1 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.11: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Oct | 2 | 34.57 | 864.3 | 1.73 |
21/1139F/3/b/400-2 mL Oct/2 ph Oct | 2 | 32.55 | 813.8 | 1.63 |
Chart no.12: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Aq | 400 | 99.92 | 1.25 | 0.50 |
21/1139F/3/b/400-2 mL Oct/2 ph Aq | 400 | 99.96 | 1.25 | 0.50 |
Chart no.13: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 2 mL Oct/1 | 2.34 | 0.50 | 1.73 | 2.23 | 95.3 |
21/1139F/3/b/400-2 mL Oct/2 | 2.34 | 0.50 | 1.63 | 2.13 | 91.0 |
Chart no.14: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-2 mL Oct/1 | 1.25 | 864.30 | 691.440 | 2.84 |
21/1139F/3/b/400-2 mL Oct/2 | 1.25 | 813.80 | 651.040 | 2.81 |
Chart no.15: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-2 mL Oct/1 | 7.08 at 22.0°C | 6.61 at 21.9°C |
21/1139F/3/b/400-2 mL Oct/2 | 6.99 at 22.2°C | 6.71 at 21.8°C |
2. Compound 2
2.1. First run
4 mL of stock solution in n-octanol pre-saturated with distilled water at 1,115 mg/L which corresponds to 4.46 mg of compound 2 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.16: Chemical analysis in First run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Oct | 4 | 36.14 | 903.5 | 3.61 |
21/1139F/3/b/400-4 mL Oct/2 ph Oct | 4 | 34.28 | 857.0 | 3.43 |
Chart no.17: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Aq | 400 | 59.78 | 1.49 | 0.60 |
21/1139F/3/b/400-4 mL Oct/2 ph Aq | 400 | 67.66 | 1.69 | 0.68 |
Chart no.18: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400-4 mL Oct/1 | 4.46 | 0.60 | 3.61 | 4.21 | 94.4 |
21/1139F/3/b/400-4 mL Oct/2 | 4.46 | 0.68 | 3.43 | 4.11 | 92.2 |
Chart no.19: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-4 mL Oct/1 | 1.49 | 903.5 | 606.376 | 2.78 |
21/1139F/3/b/400-4 mL Oct/2 | 1.69 | 857.0 | 507.101 | 2.71 |
Chart no.20: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-4 mL Oct/1 | 7.08 at 22.0°C | 6.68 at 22.4°C |
21/1139F/3/b/400-4 mL Oct/2 | 6.99 at 22.2°C | 6.77 at 22.4°C |
2.2. Second run
8 mL of stock solution in n-octanol pre-saturated with distilled water at 1,115 mg/L which corresponds to 8.92 mg of compound 2 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented below:
Chart no.21: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Oct | 8 | 39.96 | 999.0 | 7.99 |
21/1139F/3/b/400-8 mL Oct/2 ph Oct | 8 | 40.11 | 1002.8 | 8.02 |
Chart no.22: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Aq | 400 | 79.80 | 2.49 | 1.00 |
21/1139F/3/b/400-8 mL Oct/2 ph Aq | 400 | 62.28 | 1.95 | 0.78 |
Chart no.23: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 8 mL Oct/1 | 8.92 | 1.00 | 7.99 | 8.99 | 100.8 |
21/1139F/3/b/400-8 mL Oct/2 | 8.92 | 0.78 | 8.02 | 8.80 | 98.7 |
Chart no.24: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-8 mL Oct/1 | 2.49 | 999.0 | 401.205 | 2.60 |
21/1139F/3/b/400-8 mL Oct/2 | 1.95 | 1002.8 | 514.256 | 2.71 |
Chart no.25: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-8 mL Oct/1 | 7.08 at 22.0°C | 7.07 at 21.9°C |
21/1139F/3/b/400-8 mL Oct/2 | 6.99 at 22.2°C | 6.91 at 22.0°C |
2.3. Third run
2 mL of stock solution in n-octanol pre-saturated with distilled water at 1,115 mg/L which corresponds to 2.23 mg of compound 2 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented below:
Chart no.26: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Oct | 2 | 34.44 | 861.0 | 1.72 |
21/1139F/3/b/400-2 mL Oct/2 ph Oct | 2 | 32.43 | 810.8 | 1.62 |
Chart no.27: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Aq | 400 | 86.31 | 1.08 | 0.43 |
21/1139F/3/b/400-2 mL Oct/2 ph Aq | 400 | 74.79 | 0.93 | 0.37 |
Chart no.28: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 2 mL Oct/1 | 2.23 | 0.43 | 1.72 | 2.15 | 96.4 |
21/1139F/3/b/400-2 mL Oct/2 | 2.23 | 0.37 | 1.62 | 1.99 | 89.2 |
Chart no.29: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-2 mL Oct/1 | 1.08 | 861.0 | 797.222 | 2.92 |
21/1139F/3/b/400-2 mL Oct/2 | 0.93 | 810.8 | 871.828 | 2.75 |
Chart no.30: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-2 mL Oct/1 | 7.08 at 22.0°C | 6.61 at 21.9°C |
21/1139F/3/b/400-2 mL Oct/2 | 6.99 at 22.2°C | 6.71 at 21.8°C |
3. Compound 3
3.1. First run
4 mL of stock solution in n-octanol pre-saturated with distilled water at 1,213 mg/L which corresponds to 4.85 mg of compound 3 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.31: Chemical analysis in First run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Oct | 4 | 45.90 | 1147.5 | 4.59 |
21/1139F/3/b/400-4 mL Oct/2 ph Oct | 4 | 45.40 | 1135.0 | 4.54 |
Chart no.32: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Aq | 400 | < 10 | < 0.125 | < 0.05 |
21/1139F/3/b/400-4 mL Oct/2 ph Aq | 400 | < 10 | < 0.125 | < 0.05 |
Chart no.33: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400-4 mL Oct/1 | 4.85 | < 0.05 | 4.59 | > 4.59 | > 94.6 |
21/1139F/3/b/400-4 mL Oct/2 | 4.85 | < 0.05 | 4.54 | > 4.54 | > 93.6 |
Chart no.34: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-4 mL Oct/1 | < 0.125 | 1147.5 | > 9180 | > 3.96 |
21/1139F/3/b/400-4 mL Oct/2 | < 0.125 | 1135.0 | > 9080 | > 3.96 |
Chart no.35: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-4 mL Oct/1 | 7.08 at 22.0°C | 6.68 at 22.4°C |
21/1139F/3/b/400-4 mL Oct/2 | 6.99 at 22.2°C | 6.77 at 22.4°C |
3.2. Second run
8 mL of stock solution in n-octanol pre-saturated with distilled water at 1,213 mg/L which corresponds to 9.70 mg of compound 3 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented below:
Chart no.36: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Oct | 8 | 48.81 | 1220.3 | 9.76 |
21/1139F/3/b/400-8 mL Oct/2 ph Oct | 8 | 47.90 | 1197.5 | 9.58 |
Chart no.37: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Aq | 400 | < 10 | < 0.125 | < 0.05 |
21/1139F/3/b/400-8 mL Oct/2 ph Aq | 400 | < 10 | < 0.125 | < 0.05 |
Chart no.38: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 8 mL Oct/1 | 9.70 | < 0.05 | 9.76 | > 9.76 | > 100.6 |
21/1139F/3/b/400-8 mL Oct/2 | 9.70 | < 0.05 | 9.58 | > 9.58 | > 98.8 |
Chart no.39: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-8 mL Oct/1 | < 0.125 | 1220.3 | > 9762.4 | > 3.99 |
21/1139F/3/b/400-8 mL Oct/2 | < 0.125 | 1197.5 | > 9580 | > 3.98 |
Chart no.40: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-8 mL Oct/1 | 7.08 at 22.0°C | 7.07 at 21.9°C |
21/1139F/3/b/400-8 mL Oct/2 | 6.99 at 22.2°C | 6.91 at 22.0°C |
3.3. Third run
2 mL of stock solution in n-octanol pre-saturated with distilled water at 1,213 mg/L which corresponds to 2.43 mg of compound 3 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.41: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Oct | 2 | 50.50 | 1262.5 | 2.53 |
21/1139F/3/b/400-2 mL Oct/2 ph Oct | 2 | 45.95 | 1148.8 | 2.30 |
Chart no.42: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Aq | 400 | < 10 | < 0.125 | < 0.05 |
21/1139F/3/b/400-2 mL Oct/2 ph Aq | 400 | < 10 | < 0.125 | < 0.05 |
Chart no.43: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 2 mL Oct/1 | 2.43 | < 0.05 | 2.53 | > 2.53 | > 104.1 |
21/1139F/3/b/400-2 mL Oct/2 | 2.43 | < 0.05 | 2.30 | > 2.30 | > 94.7 |
Chart no.44: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-2 mL Oct/1 | < 0.125 | 1262.5 | > 10100 | > 4.00 |
21/1139F/3/b/400-2 mL Oct/2 | < 0.125 | 1148.8 | > 9190.4 | > 3.96 |
Chart no.45: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-2 mL Oct/1 | 7.08 at 22.0°C | 6.61 at 21.9°C |
21/1139F/3/b/400-2 mL Oct/2 | 6.99 at 22.2°C | 6.71 at 21.8°C |
4. Compound 4
4.1. First run
4 mL of stock solution in n-octanol pre-saturated with distilled water at 1,163 mg/L which corresponds to 4.65 mg of compound 4 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.46: Chemical analysis in First run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Oct | 4 | 40.42 | 1010.5 | 4.04 |
21/1139F/3/b/400-4 mL Oct/2 ph Oct | 4 | 36.63 | 915.8 | 3.66 |
Chart no.47: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Aq | 400 | 74.06 | 0.93 | 0.37 |
21/1139F/3/b/400-4 mL Oct/2 ph Aq | 400 | 67.32 | 0.84 | 0.34 |
Chart no.48: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400-4 mL Oct/1 | 4.65 | 0.37 | 4.04 | 4.41 | 94.8 |
21/1139F/3/b/400-4 mL Oct/2 | 4.65 | 0.34 | 3.66 | 4.00 | 86.0 |
Chart no.49: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-4 mL Oct/1 | 0.93 | 1010.50 | 1086.559 | 3.04 |
21/1139F/3/b/400-4 mL Oct/2 | 0.84 | 915.80 | 1090.238 | 2.80 |
Chart no.50: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-4 mL Oct/1 | 7.08 at 22.0°C | 6.68 at 22.4°C |
21/1139F/3/b/400-4 mL Oct/2 | 6.99 at 22.2°C | 6.77 at 22.4°C |
4.2. Second run
8 mL of stock solution in n-octanol pre-saturated with distilled water at 1,163 mg/L which corresponds to 9.30 mg of compound 4 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.51: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Oct | 8 | 41.62 | 1040.5 | 8.32 |
21/1139F/3/b/400-8 mL Oct/2 ph Oct | 8 | 41.70 | 1042.5 | 8.34 |
Chart no.52: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Aq | 400 | 53.03 | 1.66 | 0.66 |
21/1139F/3/b/400-8 mL Oct/2 ph Aq | 400 | 40.75 | 1.27 | 0.51 |
Chart no.53: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 8 mL Oct/1 | 9.30 | 0.66 | 8.32 | 8.98 | 96.6 |
21/1139F/3/b/400-8 mL Oct/2 | 9.30 | 0.51 | 8.34 | 8.85 | 95.2 |
Chart no.54: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-8 mL Oct/1 | 1.66 | 1040.5 | 626.807 | 2.80 |
21/1139F/3/b/400-8 mL Oct/2 | 1.27 | 1042.5 | 820.866 | 2.91 |
Chart no.55: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-8 mL Oct/1 | 7.08 at 22.0°C | 7.07 at 21.9°C |
21/1139F/3/b/400-8 mL Oct/2 | 6.99 at 22.2°C | 6.91 at 22.0°C |
4.3. Third run
2 mL of stock solution in n-octanol pre-saturated with distilled water at 1,163 mg/L which corresponds to 2.33 mg of compound 4 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.56: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Oct | 2 | 39.53 | 988.3 | 1.98 |
21/1139F/3/b/400-2 mL Oct/2 ph Oct | 2 | 38.18 | 954.5 | 1.91 |
Chart no.57: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Aq | 400 | 54.88 | 0.69 | 0.28 |
21/1139F/3/b/400-2 mL Oct/2 ph Aq | 400 | 58.88 | 0.74 | 0.30 |
Chart no.58: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 2 mL Oct/1 | 2.33 | 0.28 | 1.98 | 2.26 | 97.0 |
21/1139F/3/b/400-2 mL Oct/2 | 2.33 | 0.30 | 1.91 | 2.21 | 94.8 |
Chart no.59: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-2 mL Oct/1 | 0.69 | 988.3 | 1432.319 | 3.16 |
21/1139F/3/b/400-2 mL Oct/2 | 0.74 | 954.5 | 1289.865 | 3.11 |
Chart no.60: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-2 mL Oct/1 | 7.08 at 22.0°C | 6.61 at 21.9°C |
21/1139F/3/b/400-2 mL Oct/2 | 6.99 at 22.2°C | 6.71 at 21.8°C |
5. Compound 5
5.1. First run
4 mL of stock solution in n-octanol pre-saturated with distilled water at 1,201 mg/L which corresponds to 4.80 mg of compound 5 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.61: Chemical analysis in First run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Oct | 4 | 47.51 | 1187.8 | 4.75 |
21/1139F/3/b/400-4 mL Oct/2 ph Oct | 4 | 39.02 | 975.5 | 3.90 |
Chart no.62: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-4 mL Oct/1 ph Aq | 400 | < 50 | < 0.625 | < 0.25 |
21/1139F/3/b/400-4 mL Oct/2 ph Aq | 400 | (12.48) < 50 | < 0.625 | < 0.25 |
Chart no.63: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400-4 mL Oct/1 | 4.80 | < 0.25 | 4.75 | > 4.75 | > 99.0 |
21/1139F/3/b/400-4 mL Oct/2 | 4.80 | < 0.25 | 3.90 | > 3.90 | > 81.3 |
Chart no.64: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-4 mL Oct/1 | < 0.625 | 1187.8 | > 1900.48 | > 3.28 |
21/1139F/3/b/400-4 mL Oct/2 | < 0.625 | 975.5 | > 1560.80 | > 3.19 |
Chart no.65: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-4 mL Oct/1 | 7.08 at 22.0°C | 6.68 at 22.4°C |
21/1139F/3/b/400-4 mL Oct/2 | 6.99 at 22.2°C | 6.77 at 22.4°C |
5.2. Second run
8 mL of stock solution in n-octanol pre-saturated with distilled water at 1,201 mg/L which corresponds to 9.61 mg of compound 5 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.66: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Oct | 8 | 46.04 | 1151.0 | 9.21 |
21/1139F/3/b/400-8 mL Oct/2 ph Oct | 8 | 46.85 | 1171.3 | 9.37 |
Chart no.67: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-8 mL Oct/1 ph Aq | 400 | (40.82) < 50 | < 0.625 | < 0.25 |
21/1139F/3/b/400-8 mL Oct/2 ph Aq | 400 | (11.89) < 50 | < 0.625 | < 0.25 |
Chart no.68: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 8 mL Oct/1 | 9.61 | < 0.25 | 9.21 | > 9.21 | > 95.8 |
21/1139F/3/b/400-8 mL Oct/2 | 9.61 | < 0.25 | 9.37 | > 9.37 | > 97.5 |
Chart no.69: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-8 mL Oct/1 | < 0.625 | 1151.00 | > 1841.60 | > 3.27 |
21/1139F/3/b/400-8 mL Oct/2 | < 0.625 | 1171.30 | > 1874.08 | > 3.27 |
Chart no.70: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-8 mL Oct/1 | 7.08 at 22.0°C | 7.07 at 21.9°C |
21/1139F/3/b/400-8 mL Oct/2 | 6.99 at 22.2°C | 6.91 at 22.0°C |
5.3. Third run
2 mL of stock solution in n-octanol pre-saturated with distilled water at 1,201 mg/L which corresponds to 2.40 mg of compound 5 was introduced and was mixed with 400 mL of distilled water pre-saturated with n-octanol.
The results are presented hereafter:
Chart no.71: Chemical analysis in Second run (n-Octanol phase)
Sample ID | Volume of n-octanol phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Oct | 2 | 39.12 | 978.0 | 1.96 |
21/1139F/3/b/400-2 mL Oct/2 ph Oct | 2 | 46.99 | 1174.8 | 2.35 |
Chart no.72: Chemical analysis in First run (Aqueous phase)
Sample ID | Volume of aqueous phase (mL) | Analytical result(mg/L) | Concentration of test item(mg/L) | Quantity of test item(mg) |
21/1139F/3/b/400-2 mL Oct/1 ph Aq | 400 | < 50 | < 0.625 | < 0.25 |
21/1139F/3/b/400-2 mL Oct/2 ph Aq | 400 | < 50 | < 0.625 | < 0.25 |
Chart no.73: Quantity of test item in both phases
Sample ID | Quantity introduced (mg) | Quantity in aqueous phase (mg) | Quantity in n-Octanol phase (mg) | Mass balance (mg) | Recovery rate (%) |
21/1139F/3/b/400- 2 mL Oct/1 | 2.40 | < 0.25 | 1.96 | > 1.96 | > 81.7 |
21/1139F/3/b/400-2 mL Oct/2 | 2.40 | < 0.25 | 2.35 | > 2.35 | > 97.9 |
Chart no.74: Calculation of Pow and Log Pow
Sample ID | Concentration of test item(mg/L) – Aqueous phase | Concentration of test item(mg/L) – n-octanol phase | Pow | Log Pow |
21/1139F/3/b/400-2 mL Oct/1 | < 0.625 | 978.0 | > 1564.80 | > 3.19 |
21/1139F/3/b/400-2 mL Oct/2 | < 0.625 | 1174.8 | > 1879.68 | > 3.27 |
Chart no.75: pH in distilled water pre-saturated with n-Octanol before and after partition
Sample ID | pH before partition | pH after partition |
21/1139F/3/b/400-2 mL Oct/1 | 7.08 at 22.0°C | 6.61 at 21.9°C |
21/1139F/3/b/400-2 mL Oct/2 | 6.99 at 22.2°C | 6.71 at 21.8°C |
6. Validation criteria
6.1. n-octanol pre-saturated with distilled water
The unknown standards and the Quality controls (QCs) are well within 51 mg/L and 69 mg/L
6.2. Distilled water pre-saturated with n-octanol
The unknown standards and the Quality controls (QCs) are well within 51 mg/L and 69 mg/L.
7. Conformity criteria
The results obtained for the coefficient partitions are summarised below.
Compound 1:
Test condition | Log Pow | Mean values of partition coefficient Log Pow | MeanLog Pow | Standard deviation |
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water | 2.84 | 2.83 | 2.70(1) | 0.110(1) |
2.81 | ||||
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water | 2.68 | 2.68 | ||
2.68 | ||||
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water | 2.55 | 2.59 | ||
2.62 |
(1) Arihmetic mean and standard deviation were obtained from 6 values of log Pow.
Acceptance criteria | Results | Conformity |
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units. | Mean Log Pow = 2.70 | Yes |
Compound 2:
Test condition | Log Pow | Mean values of partition coefficient Log Pow | MeanLog Pow | Standard deviation |
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water | 2.90 | 2.92 | 2.77(1) | 0.128(1) |
2.94 | ||||
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water | 2.78 | 2.75 | ||
2.71 | ||||
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water | 2.60 | 2.66 | ||
2.71 |
(1) Arihmetic mean and standard deviation were obtained from 6 values of log Pow.
Acceptance criteria | Results | Conformity |
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units. | Mean Log Pow = 2.77 | Yes |
Compound 3:
Test condition | Log Pow | Mean values of partition coefficient Log Pow | MeanLog Pow | Standard deviation |
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water | > 4.00 | > 3.96 | > 3.96 | NA |
> 3.96 | ||||
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water | > 3.96 | > 3.96 | ||
> 3.96 | ||||
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water | > 3.99 | > 3.98 | ||
> 3.98 |
Acceptance criteria | Results | Conformity |
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units. | Mean Log Pow = > 3.96 | NA |
NA: Non applicable
Compound 4:
Test condition | Log Pow | Mean values of partition coefficient Log Pow | MeanLog Pow | Standard deviation |
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water | 3.16 | 3.14 | 3.01(1) | 0.133(1) |
3.11 | ||||
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water | 3.04 | 3.04 | ||
3.04 | ||||
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water | 2.80 | 2.86 | ||
2.91 |
(1) Arihmetic mean and standard deviation were obtained from 6 values of log Pow.
Acceptance criteria | Results | Conformity |
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units. | Mean Log Pow = 3.01 | Yes |
NA: Non applicable
Compound 5:
Test condition | Log Pow | Mean values of partition coefficient Log Pow | MeanLog Pow | Standard deviation |
400 mL of distilled water pre-saturated with n-octanol and 2 mL of stock solution in n-octanol pre-saturated with distilled water | > 3.19 | > 3.23 | > 3.25 | NA |
> 3.27 | ||||
400 mL of distilled water pre-saturated with n-octanol and 4 mL of stock solution in n-octanol pre-saturated with distilled water | > 3.28 | > 3.24 | ||
> 3.19 | ||||
400 mL of distilled water pre-saturated with n-octanol and 8 mL of stock solution in n-octanol pre-saturated with distilled water | > 3.27 | > 3.27 | ||
> 3.27 |
Acceptance criteria | Results | Conformity |
The determined values of the partition coefficient expressed as log10Pow should fall within a range of ± 0.3 log units. | Mean Log Pow = > 3.25 | NA |
NA: Non applicable
Description of key information
The octanol/water partition coefficient (Log Pow) of test item was determined to be comprised between 2.70 and > 3.96 at 20 ± 1°C under the stated test conditions.
However, taking into account on the complexity of the structure of the UVCBs registered substance, in OECD 107 test, Isosorbide and octanoic acid have not been analytically monitored. But coefficient partition data are available for these two compounds:
- Isosorbide: Log Kow is equal to -1.13 in the EPA CompTox databased, this value is a predictive value by OPERA software (substance inside the global applicability domain, see attached documents).
- Ocyanoic acid: Log Kow is equal to 3.05 in the EPA CompTox databased, this value is a predictive value by OPERA software (substance inside the global applicability domain, see attached documents).
These data are also considered in the log Kow range of the registered substance, the range is then comprised between -1.13 and > 3.96.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.96
- 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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
