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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 305-478-7 | CAS number: 94552-32-6
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:
- April 28, 2015
- 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)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- ca. 0.133
- Temp.:
- 20 °C
- pH:
- ca. 6.12
- Type:
- log Pow
- Partition coefficient:
- ca. -0.882
- Temp.:
- 20 °C
- pH:
- ca. 6.12
- Conclusions:
- Log Pow = -0.8821
- Executive summary:
Method:
Partition coefficient was determined by means of shake flask method as per recommendations of OECD 107. Partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting in two largely immiscible solvents.
Result:
Study conducted at 20°C and pH 6.73.
Average Pow = 0.0036
Average logPow = -2.4509
Reference
At 96 hours values reached equilibrium, and so this value was considered for final calculations making duplicate determinations of every ratio o/w.
Concentration of mother solution: W1 = 0.0402 g / 100ml = 0.4020 g/l.
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| c (g/l) | c (g/l) | ||||
| 70 / 30 | 0.3804 | 0.0504 | 0.13250 | -0.877750 | -0.8778 |
| 70 / 30 | 0.3804 | 0.0504 | 0.13250 | -0.877750 | |
| 50 / 50 | 0.3438 | 0.0582 | 0.16940 | -0.771089 | -0.8104 |
| 50 / 50 | 0.3522 | 0.0498 | 0.14130 | -0.849755 | |
| 30 / 70 | 0.3203 | 0.0350 | 0.10930 | -0.961212 | -0.9581 |
| 30 / 70 | 0.3193 | 0.0354 | 0.11090 | -0.954973 | |
| pH of the test solution: | 6.12 | ||||
| Average Pow | 0.1327 | Average log Pow | -0.8821 | ||
| Std. dev. Pow | 0.0226 | Std. dev. log Pow | 0.074 | ||
Description of key information
Shake Flask method - OECD guideline 107 = -0.8821 (Pow: 0.1327) at 20°C and pH 6.12
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.882
- 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.
