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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 258-605-2 | CAS number: 53523-90-3
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)
- Version / remarks:
- adopted 27 July 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- adopted 13 April 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- adopted, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- The partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting of two largely immiscible solvents. In the case of n-octanol and water:
Pow = C(octanol)/C(water)
For calculation the partition coefficient (P), the 1-octanol solubility and the water solubility of the test item were determined at 20 °C.
The water solubility of the test item Bayscript Gelbkomponente in demineralized water was determined with the shake flask method at 20 °C according to OECD 105 and OPPTS 830.7840. The concentration of the test item in the aqueous test solutions was determined by HPLC analysis with UV detection.
The 1-octanol solubility of the test item Bayscript Gelbkomponente is determined according OECD Guideline 105 and EC Guideline A.6. The flask method was chosen for the determination of the 1-octanol solubility. - GLP compliance:
- yes
- Type of method:
- flask method
- Remarks:
- water solubility determined by HPLC analysis with UV detection; flask method chosen for 1-octanol solubility
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Sample number: 2835
Date of receipt: 2016-06-20
Expiry date: 2018-06-17 - Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -4.04
- Temp.:
- 20 °C
- pH:
- 7.5
- Conclusions:
- The partition coefficient of the test item Bayscript Gelbkomponente was calculated from the octanol solubility (0.022 g/l) and the water solubility (240 g/l) at 20 °C: log Pow = - 4.04.
- Executive summary:
For calculation the partition coefficient, the octanol solubility of 0.022 g/l of the test item Bayscript Gelbkomponente determined in GLP Study 2016/0065/14 and the water solubility of 240 g/l of the test item Bayscript Gelbkomponente determined in GLP Study 2016/0065/03 were used for calculation the partition coefficient (n-octanol / water) as log Pow at 20 °C.
The calculated partition coefficient of the test item Bayscript Gelbkomponente at 20 °C is: log Pow = - 4.04.
The water solubility of the test item Bayscript Gelbkomponente in demineralized water was determined with the shake flask method at 20 °C according to OECD 105 and OPPTS 830.7840. The concentration of the test item in the aqueous test solutions was determined by HPLC analysis with UV detection.
The 1-octanol solubility of Bayscript Gelbkomponente in 1 -octanol was determined by HPLC at 20 °C.
Reference
Water solubility of Bayscript Gelbkomponente
| Water solubility test at 20 °C | Flask A [g/L] | Flask B [g/L] | Flask C [g/L] | Mean value |
| Concentration of Bayscript Gelbkomponente | 254 | 234 | 233 | 240 g/L |
| pH-value | 7.5 | 7.5 | 7.5 | - |
The relative standard deviation between the single determinations is < 15 %. The validity criteria have therefore been met.
The water solubility of Bayscript Gelbkomponente in demineralized water at 20 °C is determined to be: 240 g/L.
Octanol solubility of Bayscript Gelbkomponente
| Test at 20°C | Flask 1 | Flask 2 | Flask 3 | Mean value of (Flask 1 and Flask 2) |
| 1-Octanol solubility of Bayscript Gelbkomponente | 0.0252 g/l | 0.0194 g/l | 0.0114 g/l | 0.022 g/l |
| Result of the preliminary test: 0.0599 g/l | ||||
Increasing 1-octanol solubilities of the test item Bayscript Gelbkomponente between 0.0114 g/l (24hours, Flask 3) and 0.0252 g/l (72 hours, Flask 1) were observed. Therefore the mean value was calculated with the concentrations of Flask 1 and Flask 2.
Description of key information
For calculation the partition coefficient, the octanol solubility of 0.022 g/l of the test item Bayscript Gelbkomponente determined in GLP Study 2016/0065/14 and the water solubility of 240 g/l of the test item Bayscript Gelbkomponente determined in GLP Study 2016/0065/03 were used for calculation the partition coefficient (n-octanol / water) as log Pow at 20 °C.
The calculated partition coefficient of the test item Bayscript Gelbkomponente at 20 °C is: log Pow = - 4.04.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -4.04
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test item Bayscript Gelbkomponente in demineralized water was determined with the shake flask method at 20 °C according to OECD 105 and OPPTS 830.7840. The concentration of the test item in the aqueous test solutions was determined by HPLC analysis with UV detection.
The 1-octanol solubility of Bayscript Gelbkomponente in 1 -octanol was determined by HPLC at 20 °C.
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.
