Registration Dossier
Registration Dossier
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EC number: 231-007-9 | CAS number: 7403-42-1
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:
- 3 to 6 March 2017
- 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)
- Remarks:
- Swiss Federal Office of Public Health
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.77
- Temp.:
- 20 °C
- pH:
- 7.523
- Conclusions:
- A partition coefficient (log Pow) of 2.77 (at 20 °C, pH 7.523) was determined for the test substance according to OECD Guideline 117.
Reference
The R² fit of the calibration curve used was 0.992. The deviations of calculated log Pow values from actual log Pow values were 7.1% at maximum. This reflects the linear correlation between the logarithms of the capacity factors of the HPLC system and the log Pow-values of the reference items in the applied range of 0.5 to 3.4.
The retention times, capacity factors and derived log Pow of the test item and the dead time (t0) item (thiourea) are reported in the following tables.
Retention times for thiourea
T0 solutions |
Run |
Retention Time [min] |
Solution 1 |
1 |
1.267 |
2 |
1.267 |
|
Solution 2 |
1 |
1.267 |
2 |
1.260 |
Results for the test item
Test item solutions |
Run |
Retention Time [min] |
Log k' |
Log Pow |
Mean |
Overall Mean |
Solution 1 |
1 |
10.653 |
0.8697 |
2.774 |
2.77 |
2.77 ± 0.00 |
2 |
10.653 |
0.8697 |
2.774 |
|||
Solution 2 |
1 |
10.653 |
0.8697 |
2.774 |
2.78 |
|
2 |
10.653 |
0.8724 |
2.778 |
Description of key information
Log Pow: 2.77 at 20 °C, pH 7.523 (OECD Guideline 117, HPLC Method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.77
- at the temperature of:
- 20 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
