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EC number: 201-346-7 | CAS number: 81-39-0
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:
- 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.8
- Temp.:
- 25 °C
- pH:
- 7.2
- Type:
- log Pow
- Partition coefficient:
- 4.5
- Remarks on result:
- other: calculated
- Remarks:
- KOWWIN v. 1.68
- Details on results:
- In order to ensure a stable performance of the HPLC column, the column temperature was set to 40 °C. The reference Pow-values in the OECD guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature has no influence on the result of the determination. Therefore the Pow-value of the test item determined within this study also refers to 25 °C.
- pKa(Acid): No acid pKa
- First pKa(Base): - 4.3 ± 0.2
- Second pKa(Base): 0.5 ± 0.2S
- Conclusions:
- The partition coefficient (logPow) of Macrolex Rot 5B was determined to be 4.8 at 25 °C (pH 7).
- Executive summary:
For Macrolex Rot 5B the partition coefficient was determined by the HPLC-method according to OECD TG 117. The partition coefficient was determined to be 4.8 at 25°C. All validity criteria were met.
Reference
The pKa values, calculated with the software ACD/Labs/Percepta 14.0.0 Release 2012, were:
Therefore the undissociated form (nonionic from) of Macrolex Rot 5B exists at a pH value > 1.5 and the test was carried out in buffered water at pH > 2.
Description of key information
The partition coefficient (logPow) of Solvent Red 52 was determined to be 4.8 at 25 °C (pH 7).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.8
- at the temperature of:
- 25 °C
Additional information
In order to ensure a stable performance of the HPLC column, the column temperature was set to 40 °C. The reference Pow-values in the OECD guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature has no influence on the result of the determination. Therefore the Pow -value of the test item determined within this study also refers to 25 °C.
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