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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 246-788-1 | CAS number: 25279-09-8
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:
- 15 February 2018 - 05 March 2018
- 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
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.55
- Temp.:
- 20 °C
- pH:
- >= 6.55 - <= 6.7
- Details on results:
- The logarithm to the base 10 partition coefficient 1-octanol/water (log Pow) at 20.0 °C and at pH ranging 6.55 - 6.70 is 3.55 ± 0.22.
- Conclusions:
- The partition coefficient 1-octanol/water (log Pow) at 20.0 ºC and at pH ranging 6.55 - 6.70 is 3.55 ± 0.02.
- Executive summary:
The l-octanol/water partition coefficient determination was performed according to OECD Guideline 107 and EU Method A.8 (GLP study). The flask method was used. The test item measurement both in water and l-octanol phases was conducted with a validated GC-FID method. The partition coefficient 1-octanol/water (log Pow) at 20.0 ºC and at pH ranging 6.55 - 6.70 is 3.55 ± 0.02.
Reference
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
|
Temperature,°C |
19.7 |
19.9 |
19.9 |
||||
Volume of added stock solution, mL |
1 |
1 |
1 |
1 |
1 |
1 |
|
Volume of water, mL |
5 |
5 |
6.7 |
6.7 |
3.3 |
3.3 |
|
Volume of 1-octanol, mL |
4 |
4 |
2.3 |
2.3 |
5.7 |
5.7 |
|
Volume 1-octanol phase/ volume of water phase |
1:1 |
1:2 |
2:1 |
||||
Test item concentration in water phase, g/L |
0.00023 |
0.00022 |
0.00034 |
0.00035 |
0.00017 |
0.00020 |
|
Test item concentration in1-octanol phase, g/kg |
1.0157 |
1.0149 |
1.5177 |
1.5091 |
0.7608 |
0.7565 |
|
Test item concentration in 1-octanol phase, g/L |
0.8380 |
0.8373 |
1.2521 |
1.2450 |
0.6277 |
0.6241 |
|
Mass of test item in water phase∙103, g |
0.0012 |
0.0011 |
0.0023 |
0.0023 |
0.0006 |
0.0007 |
|
Mass of test item in 1-octanol phase∙103, g |
4.1900 |
4.1865 |
4.1319 |
4.1085 |
4.2056 |
4.1815 |
|
Mass of test item in both phases∙103, g |
4.1912 |
4.1876 |
4.1342 |
4.1108 |
4.2062 |
4.1822 |
|
Added mass of test tiem ∙103, g |
4.3863 |
4.3863 |
4.3863 |
4.3863 |
4.3863 |
4.3863 |
|
pH values of water phase:
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
pH before test |
5.99 |
5.99 |
5.99 |
5.99 |
5.99 |
5.99 |
pH after test |
6.67 |
6.66 |
6.55 |
6.57 |
6.70 |
6.69 |
Partition coefficient l-octanol/water:
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
Volume 1-octanol phase/volume of water phase |
1:1 |
1:2 |
2:1 |
|||
Pow= C1-octanol/Cwater |
3643.5 |
3805.9 |
3682.6 |
3557.1 |
3692.4 |
3120.5 |
log Pow= log(C1-octanol/Cwater) |
3.56 |
3.58 |
3.57 |
3.55 |
3.57 |
3.49 |
Average log Pow+ standard deviation |
3.57 ± 0.01 |
3.56 ± 0.01 |
3.53 ± 0.06 |
|||
Average log Pow+ standard deviation |
3.55±0.02 |
|||||
Description of key information
Key study: OECD Guideline 107 and EU Method A.8. GLP study. The partition coefficient 1-octanol/water (log Pow) at 20.0 ºC and at pH ranging 6.55 - 6.70 is 3.55 ± 0.02.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.55
- 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.
