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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 485-320-2 | CAS number: 221667-31-8
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)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- HESSISCHES MINISTERIUM FÜR UMWELT, LANDWIRTSCHAFT UND FORSTEN, Wiesbaden, Germany
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 1.77
- Temp.:
- 23 °C
- pH:
- 4
- Type:
- log Pow
- Partition coefficient:
- -0.8
- Temp.:
- 23 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- -1.81
- Temp.:
- 23 °C
- pH:
- 9
Reference
pH 4
Exp. |
Pow |
log Pow |
Average log Pow |
SD |
RSD (%) |
1A 1B |
57.7035 58.0238 |
1.7612 1.7636 |
1.7624 |
0.0017 |
0.1 |
2A 2B |
57.5632 58.4483 |
1.7601 1.7668 |
1 .7635 |
0.0047 |
0.3 |
3A 3B |
60.5116 59.7500 |
1.7818 1.7763 |
1 .7791 |
0.0039 |
0.2 |
Experiments 1 to 3: |
1 .7683 |
0.0093 |
0.5 |
||
A significant dependence of the partition coefficient on the concentration could not be observed.
pH 7
Exp. |
Pow |
log Pow |
Average log Pow |
SD |
RSD (%) |
1A 1B |
0.1607 0.1610 |
-0.7940 -0.7931 |
-0.7935 |
0.0006 |
0.1 |
2A 2B |
0.1581 0.1556 |
-0.8011 -0.8081 |
-0.8046 |
0.0050 |
0.6 |
3A 3B |
0.1559 0.1577 |
-0.8073 -0.8020 |
-0.8046 |
0.0037 |
0.5 |
Experiments 1 to 3: |
-0.8009 |
0.0064 |
0.8 |
||
A significant dependence of the partition coefficient on the concentration could not be observed.
pH 9
Exp. |
Pow |
log Pow |
Average log Pow |
SD |
RSD (%) |
1A 1B |
0.0167 0.0148 |
-1.7772 -1.8286 |
-1.8029 |
0.0364 |
2.0 |
2A 2B |
0.0158 0.0155 |
-1.8022 -1.8107 |
-1.8064 |
0.0060 |
0.3 |
3A 3B |
0.0150 0.0147 |
-1.8245 -1.8327 |
-1.8286 |
0.0058 |
0.3 |
Experiments 1 to 3: |
-1.8126 |
0.0139 |
0.8 |
||
A significant dependence of the partition coefficient on the concentration could not be observed.
Description of key information
Partition Coefficient (n-octanol / water)
log Pow: 1.77 at 23 °C at pH 4
log Pow: -0.80 at 23 °C at pH 7
log Pow: -1.81 at 23 °C at pH 9
(OECD 107, Shake Flask Method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.8
- at the temperature of:
- 23 °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.
