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EC number: - | 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:
- 24 December 2015 to 08 March 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study under GLP
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: UPLC-MS
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.9
- Temp.:
- 20 °C
- pH:
- 7.1
- Conclusions:
- The logPow of the substance is -2.9
- Executive summary:
In a shake flask method he octanol-water partition coefficient was determined to be -2.9 (as logPow) at pH 7.
Reference
Ratio |
Analysed concentration |
Pow |
log Pow |
pH |
||
n-octanol |
water |
individual |
mean |
|||
|
|
|
|
|
|
|
1:1 |
0.000901 |
0.668 |
1.3´10-3 |
1.2´10-3 |
-2.9 |
7.1 |
|
0.000761 |
0.671 |
1.1´10-3 |
|
-2.9 |
7.1 |
|
|
|
|
|
|
|
1:2 |
0.000651 |
0.488 |
1.3´10-3 |
1.2´10-3 |
-2.9 |
7.1 |
|
0.000501 |
0.469 |
1.1´10-3 |
|
-3.0 |
7.1 |
|
|
|
|
|
|
|
2:1 |
0.00121 |
0.922 |
1.3´10-3 |
1.3´10-3 |
-2.9 |
7.1 |
|
0.00131 |
0.945 |
1.3´10-3 |
|
-2.9 |
7.1 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Mean |
1.3´10-3 |
|
-2.9 |
|
||
Standard deviation |
1.2´10-4 |
|
|
|
||
|
|
|
|
|
|
|
1 Estimated value, calculated by extrapolation of the calibration curve.
Description of key information
In a shake flask method he octanol-water partition coefficient was determined to be -2.9 (as logPow) at pH 7.
For risk assessment the logKow is set at -1 (minimum value in EUSES)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.9
- at the temperature of:
- 20 °C
Additional information
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