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EC number: 701-340-9 | 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:
- 12 October 2020 to 15 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 -13/10/2020)
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 | 38.00 | 1.5 | 50.0 | 1.0 | 1266.67 | 1.27 | 1.34 | 94.53 |
95.61 |
0.92 |
0.96 |
ACC 1 R2 W | 38.52 | 1.5 | 50.0 | 1.0 | 1284.00 | 1.28 | 1.34 | 95.82 | |||
ACC 1 R3 W | 39.01 | 1.5 | 50.0 | 1.0 | 1300.33 | 1.30 | 1.34 | 97.04 | |||
ACC 1 R4 W | 38.30 | 1.5 | 50.0 | 1.0 | 1276.67 | 1.28 | 1.34 | 95.27 | |||
ACC 1 R5 W | 38.35 | 1.5 | 50.0 | 1.0 | 1278.33 | 1.28 | 1.34 | 95.40 | |||
Control 2 | BLLOQ | 3.0 | 50.0 | 10.0 | - | - | - | - | - | - | - |
ACC 2 R1 W | 80.42 | 3.0 | 50.0 | 10.0 | 13403.33 | 13.40 | 13.37 | 100.25 |
100.00 |
0.49 |
0.49 |
ACC 2 R2 W | 79.66 | 3.0 | 50.0 | 10.0 | 13276.67 | 13.28 | 13.36 | 99.38 | |||
ACC 2 R3 W | 80.71 | 3.0 | 50.0 | 10.0 | 13451.67 | 13.45 | 13.38 | 100.54 | |||
ACC 2 R4 W | 80.19 | 3.0 | 50.0 | 10.0 | 13365.00 | 13.37 | 13.42 | 99.59 | |||
ACC 2 R5 W | 80.46 | 3.0 | 50.0 | 10.0 | 13410.00 | 13.41 | 13.38 | 100.22 |
Table 2. Determination of precision (% RSD) and accuracy (% recovery) of presaturated n-octanol (date of analysis -14/10/2020)
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 Oct | 36.26 | 1.5 | 50.0 | 1.0 | 1208.67 | 1.21 | 1.34 | 90.20 |
91.05 |
0.80 |
0.88 |
ACC 1 R2 Oct | 36.91 | 1.5 | 50.0 | 1.0 | 1230.33 | 1.23 | 1.34 | 91.82 | |||
ACC 1 R3 Oct | 36.83 | 1.5 | 50.0 | 1.0 | 1227.67 | 1.23 | 1.34 | 91.62 | |||
ACC 1 R4 Oct | 36.75 | 1.5 | 50.0 | 1.0 | 1225.00 | 1.23 | 1.34 | 91.42 | |||
ACC 1 R5 Oct | 36.25 | 1.5 | 50.0 | 1.0 | 1208.33 | 1.21 | 1.34 | 90.17 | |||
Control 2 | BLLOQ | 3.0 | 50.0 | 10.0 | - | - | - | - | - | - | - |
ACC 2 R1 Oct | 80.85 | 3.0 | 50.0 | 10.0 | 13475.00 | 13.48 | 13.36 | 100.86 |
101.36 |
0.29 |
0.29 |
ACC 2 R2 Oct | 81.38 | 3.0 | 50.0 | 10.0 | 13563.33 | 13.56 | 13.37 | 101.45 | |||
ACC 2 R3 Oct | 81.69 | 3.0 | 50.0 | 10.0 | 13615.00 | 13.62 | 13.41 | 101.53 | |||
ACC 2 R4 Oct | 81.45 | 3.0 | 50.0 | 10.0 | 13575.00 | 13.58 | 13.39 | 101.38 | |||
ACC 2 R5 Oct | 81.49 | 3.0 | 50.0 | 10.0 | 13581.67 | 13.58 | 13.37 | 101.58 |
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 | 38.87 | 5.0 | 50 | 1.0 | 388.70 | 0.39 | 0.39 |
0.03 |
-1.48 |
-1.47 |
1:1 Octanol R2 | 38.77 | 5.0 | 50 | 1.0 | 387.70 | 0.39 | ||||
1:1 Water R1 | 59.60 | 5.0 | 50 | 20.0 | 11920.00 | 11.92 | 11.80 | |||
1:1 Water R2 | 58.40 | 5.0 | 50 | 20.0 | 11680.00 | 11.68 | ||||
1:2 Octanol R1 | 33.75 | 5.0 | 50 | 1.0 | 337.50 | 0.34 | 0.34 |
0.05 |
-1.35 | |
1:2 Octanol R2 | 32.83 | 5.0 | 50 | 1.0 | 328.30 | 0.33 | ||||
1:2 Water R1 | 37.62 | 5.0 | 50 | 20.0 | 7524.00 | 7.52 | 7.54 | |||
1:2 Water R2 | 37.75 | 5.0 | 50 | 20.0 | 7550.00 | 7.55 | ||||
2:1 Octanol R1 | 38.54 | 5.0 | 50 | 1.0 | 385.40 | 0.39 | 0.39 |
0.03 |
-1.57 | |
2:1 Octanol R2 | 37.58 | 5.0 | 50 | 1.0 | 375.80 | 0.38 | ||||
2:1 Water R1 | 72.52 | 5.0 | 50 | 20.0 | 14504.00 | 14.50 | 14.45 | |||
2:1 Water R2 | 72.02 | 5.0 | 50 | 20.0 | 14404.00 | 14.40 |
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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