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EC number: 701-186-2 | CAS number: -
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:
- 15 October 2020 to 20 October 2020
- 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
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other:
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.47
- Temp.:
- 24.5 °C
- pH:
- >= 7.8 - <= 7.85
- Conclusions:
- The experimentally obtained value of log Kow of the test substance at 24.5ºC is -1.47.
- Executive summary:
The partition coefficient n-octanol/water (log Kow) of the test item was determined according to EU method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in n-octanol and water was assessed by the quantification of aluminium content in the test item. Aluminium content in obtained samples was determined by inductively coupled plasma mass spectrometry (ICP-MS). The validation of the analytical method was done based on SANCO/3029/99, rev 4.0 and all parameters assessed were within the acceptability criteria. The Partition coefficient of the test substance was determined to have a mean log Pow of -1.47 at 24.5 ºC and at pH 7.80 to 7.85.
Reference
Table 1. Determination of precision (% RSD) and accuracy (% recovery) of presaturated milli-Q water (date of analysis -16/10/2020)
Sample Code | Conc. of Sample (ppb) | Sample Volume Taken (mL) | Final Sample Volume (mL) |
Dilution Factor | Conc. Obtained (ppb) | Conc. Obtained (mg/L) | Nominal Conc. (mg/L) |
Recovery (%) | Mean Recovery (%) |
SD (±) |
RSD (%) |
Control 1 | BLLOQ | 1.5 | 50.0 | 1.0 | - | - | - | - | - | - | - |
ACC 1 R1 W | 39.75 | 1.5 | 50.0 | 1.0 | 1325.00 | 1.33 | 1.34 | 98.88 |
97.87 |
1.40 |
1.43 |
ACC 1 R2 W | 38.98 | 1.5 | 50.0 | 1.0 | 1299.33 | 1.30 | 1.34 | 96.96 | |||
ACC 1 R3 W | 40.08 | 1.5 | 50.0 | 1.0 | 1336.00 | 1.34 | 1.34 | 99.70 | |||
ACC 1 R4 W | 38.71 | 1.5 | 50.0 | 1.0 | 1290.33 | 1.29 | 1.34 | 96.29 | |||
ACC 1 R5 W | 39.20 | 1.5 | 50.0 | 1.0 | 1306.67 | 1.31 | 1.34 | 97.51 | |||
Control 2 | BLLOQ | 3.0 | 50.0 | 1.0 | - | - | - | - | - | - | - |
ACC 2 R1 W | 75.56 | 3.0 | 50.0 | 10.0 | 12593.33 | 12.59 | 13.38 | 94.12 |
94.16 |
0.92 |
0.98 |
ACC 2 R2 W | 77.00 | 3.0 | 50.0 | 10.0 | 12833.33 | 12.83 | 13.42 | 95.63 | |||
ACC 2 R3 W | 75.58 | 3.0 | 50.0 | 10.0 | 12596.67 | 12.60 | 13.36 | 94.29 | |||
ACC 2 R4 W | 75.17 | 3.0 | 50.0 | 10.0 | 12528.33 | 12.53 | 13.42 | 93.36 | |||
ACC 2 R5 W | 75.25 | 3.0 | 50.0 | 10.0 | 12541.67 | 12.54 | 13.43 | 93.39 |
Table 2. Determination of precision (% RSD) and accuracy (% recovery) of presaturated n-octanol (date of analysis -17/10/2020)
Sample Code | Conc. of Sample (ppb) | Sample Volume Taken (mL) | Final Sample Volume (mL) |
Dilution Factor | Conc. Obtained (ppb) | Conc. Obtained (mg/L) | Nominal Conc. (mg/L) |
Recovery (%) | Mean Recovery (%) |
SD (±) |
RSD (%) |
Control 1 | BLLOQ | 1.5 | 50.0 | 1.0 | - | - | - | - | - | - | - |
ACC 1 R1 W | 39.59 | 1.5 | 50.0 | 1.0 | 1319.67 | 1.32 | 1.34 | 98.48 |
98.72 |
0.79 |
0.80 |
ACC 1 R2 W | 39.27 | 1.5 | 50.0 | 1.0 | 1309.00 | 1.31 | 1.34 | 97.69 | |||
ACC 1 R3 W | 40.15 | 1.5 | 50.0 | 1.0 | 1338.33 | 1.34 | 1.34 | 99.88 | |||
ACC 1 R4 W | 39.69 | 1.5 | 50.0 | 1.0 | 1323.00 | 1.32 | 1.34 | 98.73 | |||
ACC 1 R5 W | 39.73 | 1.5 | 50.0 | 1.0 | 1324.33 | 1.32 | 1.34 | 98.83 | |||
Control 2 | BLLOQ | 3.0 | 50.0 | 1.0 | - | - | - | - | - | - | - |
ACC 2 R1 W | 78.29 | 3.0 | 50.0 | 10.0 | 13048.33 | 13.05 | 13.36 | 97.67 |
98.40 |
0.92 |
0.93 |
ACC 2 R2 W | 79.68 | 3.0 | 50.0 | 10.0 | 13280.00 | 13.28 | 13.39 | 99.18 | |||
ACC 2 R3 W | 79.70 | 3.0 | 50.0 | 10.0 | 13283.33 | 13.28 | 13.40 | 99.13 | |||
ACC 2 R4 W | 78.07 | 3.0 | 50.0 | 10.0 | 13011.67 | 13.01 | 13.39 | 97.17 | |||
ACC 2 R5 W | 79.96 | 3.0 | 50.0 | 10.0 | 13326.67 | 13.33 | 13.48 | 98.86 |
Table 3. Determination of partition coefficient
Sample code | Conc. of Sample (ppb) | Sample Volume Taken (mL) | Final Sample Volume (mL) |
Dilution Factor | Conc. Obtained (ppb) | Conc. Obtained (mg/L) | Mean Conc. Obtained (mg/L) |
Pow |
Log (Pow) |
Mean Log (Pow) |
1:1 Octanol R1 | 42.72 | 5 | 50 | 1.0 | 427.20 | 0.43 | 0.43 |
0.03 |
-1.46 |
-1.47 |
1:1 Octanol R2 | 42.77 | 5 | 50 | 1.0 | 427.70 | 0.43 | ||||
1:1 Water R1 | 62.45 | 5 | 50 | 20.0 | 12490.00 | 12.49 | 12.54 | |||
1:1 Water R2 | 62.98 | 5 | 50 | 20.0 | 12596.00 | 12.60 | ||||
1:2 Octanol R1 | 32.61 | 5 | 50 | 1.0 | 326.10 | 0.33 | 0.33 |
0.04 |
-1.41 | |
1:2 Octanol R2 | 33.10 | 5 | 50 | 1.0 | 331.00 | 0.33 | ||||
1:2 Water R1 | 41.99 | 5 | 50 | 20.0 | 8398.00 | 8.40 | 8.47 | |||
1:2 Water R2 | 42.66 | 5 | 50 | 20.0 | 8532.00 | 8.53 | ||||
2:1 Octanol R1 | 42.20 | 5 | 50 | 1.0 | 422.00 | 0.42 | 0.42 |
0.03 |
-1.55 | |
2:1 Octanol R2 | 42.35 | 5 | 50 | 1.0 | 423.50 | 0.42 | ||||
2:1 Water R1 | 74.22 | 5 | 50 | 20.0 | 14844.00 | 14.84 | 14.82 | |||
2:1 Water R2 | 73.95 | 5 | 50 | 20.0 | 14790.00 | 14.79 |
Description of key information
Key study. Test method according to OECD 107 / EU Method A.8 (shake flask method), GLP study. The experimentally obtained value of log Kow of the test substance at 24.5ºC and pH 7.80 to 7.85 is -1.47.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.47
- at the temperature of:
- 24.5 °C
Additional information
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