Registration Dossier
Registration Dossier
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EC number: 252-743-7 | CAS number: 35835-94-0
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:
- October 2017 until April 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- not specified
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.284
- Temp.:
- 23.5 °C
- pH:
- 7
- Details on results:
- The determination of partition coefficient was performed using the shake-flask method. This was due to the expected partition coefficient obtained in the preliminary assessment.
It is evident from the information obtained in the hydrolysis test and data relating to the pH of the test item in water that negligible hydrolysis of the sample solutions occurred during the course of the partition coefficient test.
The cationic component of the test item is a quaternary phosphonium ion and therefore will be fully charged across the whole of the pH range. Therefore, the test was performed at approximately neutral pH with the cation component in its fully ionized form.
As for the acetate counterion, acetic acid (non-ionized form) has an experimental log10 Pow of -0.17 (using EpiSuite v4.11). Therefore, in its ionized form, the “acetate” ion will have a log10 Pow of much less than -0.17. - Conclusions:
- The partition coefficient of the test item has been determined to be 0.284 at 23.5 ± 1 °C, log10 Pow -0.640.
- Executive summary:
Partition Coefficient (n-Octanol/Water). 0.284 at 23.5 ± 1 °C, log10 Pow -0.640, using the shake-flask method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Reference
Description of key information
The partition coefficient of the test item has been determined to be 0.284 at 23.5 ± 1 °C, log10 Pow -0.640.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.64
- at the temperature of:
- 23.5 °C
Additional information
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