Registration Dossier
Registration Dossier
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EC number: 281-468-5 | CAS number: 83950-14-5
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:
- 11 January 2018 to 18 January 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -0.27
- Temp.:
- 20 °C
- pH:
- >= 4.42 - <= 4.52
- Details on results:
- recovery in stock solution in water saturated with n-octanol is 97.1%
- Conclusions:
- The logPow of the substance is -0.27
- Executive summary:
Using the flask method the logPow of the substance was calculated to be -0.27.
Reference
Data for POW determination
Ratio water/ octanol |
No. |
Determined conc. of analyte in water phase |
Determined conc. of analyte in octanol phase |
Pow |
log Pow |
Mean log Pow |
Overall Mean log Pow |
pH value of water phase |
|
|
[mg/L] |
[mg/L] |
|
|
|
|
|
1/1 |
1 |
31.89 |
17.66 |
0.5538 |
-0.26 |
- 0.26 |
|
4.43 |
|
2 |
31.93 |
17.60 |
0.5512 |
-0.26 |
|
|
4.42 |
2/1 |
1 |
37.57 |
24.24 |
0.6452 |
-0.19 |
- 0.20- |
- 0.27 |
4.46 |
|
2 |
37.63 |
23.91 |
0.6354 |
-0.20 |
|
|
4.42 |
1/2 |
1 |
26.10 |
11.91 |
0.4563 |
-0.34 |
- 0.35 |
|
4.51 |
|
2 |
26.28 |
11.87 |
0.4517 |
-0.35 |
|
|
4.52 |
Mass Balance for POW determination
Ratio |
No. |
Water |
n-octanol |
Nominal total amount in vessel |
Determined amount (water phase) |
Determined amount (n‑Octanol phase) |
Determined total amount in vessel |
Mass balance |
water/n-octanol |
|
[mL] |
[mL] |
[mg] |
[mg] |
[mg] |
[mg] |
[%] |
1/1 |
1 |
40 |
40 |
19.57 |
12.76 |
7.06 |
19.82 |
101.3 |
|
2 |
40 |
40 |
|
12.77 |
7.04 |
19.81 |
101.2 |
2/1 |
1 |
50 |
25 |
24.46 |
18.79 |
6.06 |
24.85 |
101.6 |
|
2 |
50 |
25 |
|
18.82 |
5.98 |
24.80 |
101.4 |
1/2 |
1 |
25 |
50 |
12.23 |
6.53 |
5.96 |
12.49 |
102.1 |
|
2 |
25 |
50 |
|
6.57 |
5.94 |
12.51 |
102.3 |
Description of key information
Using the flask method the logPow of the substance was calculated to be -0.27.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.27
- at the temperature of:
- 20 °C
Additional information
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