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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 947-985-1 | 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:
- 08 November 2017 to 05 April 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: D26-3-3-1
- Expiration date of the lot/batch: 01 December 2018
- Purity test date: 11 April 2017
- Stability under test conditions: Room temperature, in the dark
- Purity: 47.4% - Analytical method:
- mass spectrometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.67
- Temp.:
- 21.3 °C
- pH:
- > 11.1 - < 11.3
- Type:
- Pow
- Partition coefficient:
- 0.002
- Temp.:
- 21.3 °C
- pH:
- > 11.1 - < 11.3
- Details on results:
- Preliminary Estimate:
The logPow was calculated to be: -5.0
Definitive Test
See "Any other Information......" below. - Conclusions:
- The partition coefficient of the test item has been determined to be 2.17 x 10^(-3) at 21.3 ± 0.5 °C, log10 Pow -2.67.
Reference
The analyzed concentration (mg/L) and test item weight (mg) of the respective phases are shown in the following table:
Flask |
Total Weight(mg)* |
Organic Phase |
Aqueous Phase |
% Recovery |
|||
Analyzed Concentration(mg/L) |
Weight(mg)† |
Analyzed Concentration(mg/L) |
Weight(mg)† |
pH |
|||
1 |
133 |
2.119 |
0.318 |
976 |
146 |
11.2 |
111 |
2 |
133 |
2.000 |
0.300 |
911 |
137 |
11.2 |
103 |
3 |
106 |
1.785 |
0.428 |
939 |
113 |
11.1 |
107 |
4 |
106 |
1.963 |
0.471 |
886 |
106 |
11.1 |
101 |
5 |
195 |
1.895 |
0.209 |
916 |
202 |
11.3 |
103 |
6 |
195 |
2.141 |
0.236 |
868 |
191 |
11.3 |
98.2 |
pH of n-octanol saturated water: 8.2
pH of stock solution: 11.0
Temperature: 21.3 ± 0.5°C
The partition coefficient determined for each flask is shown in the following table:
Flask |
Organic/AqueousVolume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:1 |
2.17 x 10-3 |
-2.66 |
2.18 x 10-3 |
2 |
2.20 x 10-3 |
-2.66 |
||
3 |
2:1 |
1.90 x 10-3 |
-2.72 |
2.06 x 10-3 |
4 |
2.22 x 10-3 |
-2.65 |
||
5 |
1:2 |
2.07 x 10-3 |
-2.68 |
2.27 x 10-3 |
6 |
2.47 x 10-3 |
-2.61 |
Mean Pow : 2.17x 10-3 log10Pow: -2.67 Powstandard deviation : 1.86 x10-4
Description of key information
The partition coefficient of the test item has been determined to be 2.17 x 10^-3 at 21.3 ± 0.5 °C, log10 Pow -2.67 in a test according to EU Method A.8 and OECD guideline 107 (K1, Covance, 2019).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.67
- at the temperature of:
- 21.3 °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.
