Registration Dossier
Registration Dossier
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EC number: 640-454-2 | CAS number: 17318-08-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- 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:
- July 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- 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.:
- 20 °C
- pH:
- 7
- Conclusions:
- The log Pow of the substance has been determined to be 4.4 by the shake flask method.
- Executive summary:
The log Pow of the substance has been determined by the shake flask method under GLP according to OECD TG 107.
Reference
Table 1: overview of results obtained in six determinations
Test Mixture |
P1 |
P2 |
P3 |
P4 |
P5 |
P6 |
Amount of CA5528 [mg] |
45.7 |
45.5 |
90.3 |
91.0 |
23.0 |
22.9 |
Corrected for purity [mg] |
45.6086 |
45.4090 |
90.1194 |
90.8180 |
22.9540 |
22.8542 |
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 |
CA5528 in the octanol phase [g/l] Average |
2.303 2.303 |
2.308 2.310 |
2.325 2.322 |
2.321 2.327 |
2.618 2.619 |
2.601 2.607 |
CA5528 in the aqueous phase [mg/l] Average |
0.110 0.109 |
0.091 0.090 |
0.104 0.104 |
0.096 0.096 |
0.135 0.135 |
0.105 0.107 |
pH of aqueous phase |
6.91 |
6.95 |
6.95 |
6.97 |
6.98 |
6.97 |
Average pH |
7.0 |
|||||
CA5528 amount in |
46.0600 |
46.2000 |
92.8800 |
93.0800 |
26.1900 |
26.0700 |
CA5528 amount in |
0.0022 |
0.0018 |
0.0021 |
0.0019 |
0.0027 |
0.0021 |
CA5528 amount in the |
46.0622 |
46.2018 |
92.8821 |
93.0819 |
26.1927 |
26.0721 |
Recovery [%] |
101.0 |
101.7 |
103.1 |
102.5 |
114.1 |
114.1 |
Pow |
21128.44 |
25666.67 |
22326.92 |
24239.58 |
19400.00 |
24364.49 |
Average Pow |
23397.55 |
23283.25 |
21882.24 |
|||
Average Pow ± S.D. |
22854 ± 2337 |
|||||
Log Pow |
4.32 |
4.41 |
4.35 |
4.38 |
4.29 |
4.39 |
average logarithm of Pow |
4.4 |
|||||
Description of key information
The octanol-water partition coefficient of the substance has been determined reliably with the shake flask method under GLP according to OECD TG 107.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.4
- at the temperature of:
- 20 °C
Additional information
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