Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 224-957-0 | CAS number: 4573-50-6
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:
- 27 to 28 October 2016
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Staatliches Gewerbeaufsichtsamt Hildesheim
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.39
- Temp.:
- 22.7 °C
- Remarks on result:
- other: pH not relevant
- Remarks:
- No pH value was measured because the mobile phase was neutral and the test item did not have functional groups able to influence on the pH value of the mobile phase.
- Conclusions:
- A log Pow of 2.39 at 22.7°C was determined for the test substance according to OECD 117.
Reference
Temperature
The mean temperature during the course of the study was 22.7 °C (inside the range of 20 - 25 °C ± 1 °C).
Determination of the Void Time
The mean void time (determined by threefold injection) was 0.729
Calibration
The calculated slope, Y-intercept and correlation coefficient for the first and second calibration of the reference items are shown in the table below. The correlation coefficient r for both calibrations was > 0.9.
Slope, Y-intercept and Correlation Coefficient of the Regression Line
|
1st Calibration |
2nd Calibration |
|
slope |
1.864 |
1.865 |
|
Y-intercept |
0.8249 |
0.8230 |
|
r2 |
0.9926 |
0.9927 |
|
r |
0.9963 |
0.9964 |
|
r: Correlation Coefficient
r2: Coefficient of determination
Results of Test Item Analysis
Two individual log Pow values for the test item were derived under consideration of the first and second calibration and a mean value was calculated from these individual log Pow values. The results are reported in the table below.
Test Item |
tR [min] |
k |
log k |
log Pow |
|
1st Calibration |
2nd Calibration |
||||
5.794 |
6.94 |
0.842 |
2.39 ± 0.04 2.28 to 2.51 (95 % CI) |
2.39 ± 0.04 2.28 to 2.50 (95 % CI) |
|
5.793 |
6.94 |
0.842 |
|||
Mean |
5.794 |
6.94 |
0.842 |
2.39 |
|
tR: Retention time
k: Capacity factor test item
Pow: Partition Coefficient (n-octanol / water)
CI: Confidence Interval
Description of key information
Log Kow: 2.39 at 22.7 °C (OECD 117, HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.39
- at the temperature of:
- 22.7 °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.
