Registration Dossier
Registration Dossier
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EC number: 947-618-5 | 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
- 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
- Principles of method if other than guideline:
- A non-GLP pretest was performed. Therefore approximately 200 mg test item were dissolved in 100 mL demin. water. 150 mL octanol were added and the mixture was shaken for 60 min at 200 min-1. Afterwards the mixture was allowed to separate for 1 hour. Phase separation was done manually. The two phases were analysed by HPLC-UV. The determined log P was -0.83.
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- 0.15
- Temp.:
- 22.5 °C
- pH:
- 3.7 - 4.6
- Remarks on result:
- other: rounded value
- Details on results:
- Standard deviation: 0.005
Recovery (mean value): 101% - Conclusions:
- The partition coefficient of EGGE 2806-1 was determined to be log Pow = - 0.81.
- Executive summary:
The partition coefficient of EGGE 2806-1 was determined by the Shake Flask Method and has a value of log Pow = - 0.81. The determination of the partition coefficient was based on OECD Guidelines for Testing of Chemicals No: 107. All validity criteria were met.
Reference
Measurements should be made on ionizable substances only in their non-ionized form (free acid or free base) produced by the use of an appropriate buffer with a pH of at least one unit below (free acid) or above (free base) the pK.
The pKa values of of EGGE 2806-1, were calculated with the software ACD/pKa v 7.0 from the structures of both components. The calculated pKa values of both isomers are -0.7 ± 0.50 and 13.9 ± 0.5 respectively Therefore there is no pH range where the nonionic form of the test item exists. The predicted log Pow, calculated with EPI Suite (Kowwin), was -0.74. (EPI Suite is owned by the US Environmental Protection Agency)
Description of key information
The partition coefficient of EGGE 2806-1 was determined to be log Pow = - 0.81.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.81
- at the temperature of:
- 22.5 °C
Additional information
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