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EC number: 632-619-2 | CAS number: 881685-58-1
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:
- 29 Aug 2012 to 03 Sep 2012
- 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)
- Version / remarks:
- 1995
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 1992
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- 1996
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 25 °C
- pH:
- 5.3
- Conclusions:
- At 25 °C the partition coefficient (n-octanol / water) of the test substance was found to be 4.4.
- Executive summary:
The octanol-water partition coefficient (Log Pow) of the test substance was determined using the shake-flask and according to OECD TG 117 following GLP principles. At 25°C the partition coefficient (n-octanol / water) of the test substance was found to be 4.4 at a pH of about 5.3.
Reference
Table 1. Summary table
Test Mixture |
P1 |
P2 |
P3 |
P4 |
P5 |
P6 |
|
Amount of Test substance [mg] |
70.5 |
70.6 |
139.8 |
140.0 |
35.0 |
34.9 |
|
Corrected for purity [mg] |
69.7950 |
69.8940 |
138.4020 |
138.6000 |
34.6500 |
34.5510 |
|
Volume of Octanol [mL] |
20.0 |
20.0 |
40.0 |
40.0 |
10.0 |
10.0 |
|
Volume of Water [mL] |
20.0 |
20.0 |
20.0 |
20.0 |
20.0 |
20.0 |
|
Test substance in the octanol phase [mg/L] |
3477.659 3479.810 |
3483.877 3480.761 |
3480.838 3481.219 |
3476.182 3474.730 |
3431.654 3431.254 |
3427.861 3431.785 |
|
Average |
3478.735 |
3482.319 |
3481.029 |
3475.456 |
3431.454 |
3429.823 |
|
Test substance in aqueous |
131.979 |
190.307 |
146.261 |
108.335 |
120.919 |
124.626 |
|
Phase [µg/L] |
131.526 |
189.363 |
146.121 |
105.379 |
120.692 |
122.126 |
|
Average |
131.753 |
189.835 |
146.191 |
106.857 |
120.806 |
123.376 |
|
pH of aqueous phase |
5.24 |
5.39 |
5.34 |
5.24 |
5.41 |
5.28 |
|
Average pH |
5.3 |
||||||
Test substance amount in Octanol Phase [mg] |
69.5747 |
69.6464 |
139.2412 |
139.0182 |
34.3145 |
34.2982 |
|
Test substance amount in Aqueous Phase [mg] |
0.0026 |
0.0038 |
0.0029 |
0.0021 |
0.0024 |
0.0025 |
|
Test substance amount in the two phases [mg] |
69.5773 |
69.6502 |
139.2441 |
139.0203 |
34.3169 |
34.3007 |
|
Recovery[%] |
99.7 |
99.7 |
100.6 |
100.3 |
99.0 |
99.3 |
|
Pow |
26403 |
18344 |
23812 |
32524 |
28405 |
27800 |
|
Average Pow |
22374 |
28168 |
28102 |
||||
Average Pow ± S.D. |
26000 ± 4800 |
||||||
Log Pow |
4.42 |
4.26 |
4.38 |
4.51 |
4.45 |
4.44 |
|
Average logarithm of Pow |
4.4 |
||||||
Description of key information
Log Kow: 4.4 at 25 °C, OECD TG 117, shake-flask method, Vijayakumar 2012
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.4
- at the temperature of:
- 25 °C
Additional information
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