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EC number: 954-921-6 | 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:
- 11 Jan 2017 to 17 Feb 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- December 1992
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- July 1995
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- August 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:
- 4.9
- Temp.:
- 20 °C
- Remarks on result:
- other: no pH has been reported
- Type:
- Pow
- Partition coefficient:
- 76 770
- Temp.:
- 20 °C
- Remarks on result:
- other: no pH has been reported
- Details on results:
- See 'Any other information on results incl. tables' for an overview of the results.
- Conclusions:
- The Log Pow of the test item is determined to be 4.9 at 20 °C.
- Executive summary:
The 1-octanol / water partition coefficient (Pow) of the test substance has been determined in accordance with the EU method A.8., the OECD TG 107 and the EPA test guideline OPPTS 830.7550 using the shake-flask method, and in compliance with GLP. The octanol / water partition coefficient (Pow) and its logarithm to base 10 (log Pow) were determined to be 76770 ( ± 15230) and 4.9 respectively 20 °C.
Reference
Table 1: Results
Test Mixture |
P1 |
P2 |
P3 |
P4 |
P5 |
P6 |
Amount of test substance [mg] |
100.1 |
99.7 |
199.9 |
200.4 |
49.6 |
49.5 |
Corrected for purity [mg] |
96.9969 |
96.6093 |
193.7031 |
194.1876 |
48.0624 |
47.9655 |
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 [g/L] |
4.818 4.826 |
4.773 4.786 |
4.781 4.806 |
4.825 4.820 |
4.842 4.851 |
4.825 4.832 |
Average |
4.822 |
4.780 |
4.794 |
4.823 |
4.847 |
4.829 |
Test substance in the |
0.067 |
0.078 |
0.047 |
0.064 |
0.075 |
0.056 |
aqueous phase [mg/L] |
0.067 |
0.077 |
0.046 |
0.063 |
0.076 |
0.056 |
Average |
0.067 |
0.078 |
0.047 |
0.064 |
0.076 |
0.056 |
pH of aqueous phase |
5.37 |
5.36 |
5.37 |
5.36 |
5.42 |
5.36 |
Average pH |
5.4 |
|||||
Test substance amount in octanol Phase [mg] |
96.4400 |
95.6000 |
191.7600 |
192.9200 |
48.4700 |
48.2900 |
Test substance amount in aqueous Phase [mg] |
0.00134 |
0.00156 |
0.00094 |
0.00128 |
0.00152 |
0.00112 |
Test substance amount in the two phases [mg] |
96.4413 |
95.6016 |
191.7609 |
192.9213 |
48.4715 |
48.2911 |
Recovery[%] |
99.4 |
99.0 |
99.0 |
99.3 |
100.9 |
100.7 |
Pow |
71970 |
61282 |
102000 |
75359 |
63776 |
86232 |
Average Pow |
66626 |
88680 |
75004 |
|||
Average Pow ± S.D. |
76770 ± 15230 |
|||||
Log Pow |
4.86 |
4.79 |
5.01 |
4.88 |
4.80 |
4.94 |
average logarithm of Pow |
4.9 |
|||||
The final result for the average log Powvalue has been quoted correct to two significant figures.
Description of key information
Log Kow = 4.9 at 20 °C, OECD 107, flask method, Halarnakar 2017.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.9
- at the temperature of:
- 20 °C
Additional information
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