Registration Dossier
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EC number: 629-704-1 | CAS number: 226995-92-2
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:
- 17 July 2017 - 08 November 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Remarks:
- shake flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: RM1004942
Appearance/Physical state: Amber coloured paste
Batch: RL149/17
Purity: 100%
Expiry / Retest date: 08 September 2018
Storage conditions: Room temperature, in the dark - Analytical method:
- liquid chromatography
- mass spectrometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 3.62
- Temp.:
- 21.2 °C
- Remarks on result:
- other: cationic component
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 0.649
- Temp.:
- 21.2 °C
- Remarks on result:
- other: anionic component
- Conclusions:
- The partition coefficient of the cationic component of the test substance has been determined to be greater than 4.19 x 10^3 at 21.2 ± 0.5 °C, log10 Pow >3.62. The partition coefficient of the anionic component of the test item has been determined to be 4.30 at 21.2 ± 0.5 °C, log10 Pow 0.62.
- Executive summary:
The partition coefficient of the test item has been determined 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, Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 830.7550 of the OCSPP Guidelines. The partition coefficient of the cationic component of the test item has been determined to be greater than 4.19 x 10^3 at 21.2 ± 0.5 °C, log10 Pow >3.62. The partition coefficient of the anionic component of the test item has been determined to be 4.30 at 21.2 ± 0.5 °C, log10 Pow 0.62.
Reference
Description of key information
The partition coefficient of the cationic component of the test item has been determined to be greater than 4.19 x 10^3 at 21.2 ± 0.5 °C, log10 Pow >3.62.
The partition coefficient of the anionic component of the test item has been determined to be 4.30 at 21.2 ± 0.5 °C, log10 Pow 0.62.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.62
- at the temperature of:
- 21.2 °C
Additional information
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