Registration Dossier
Registration Dossier
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EC number: 203-851-8 | CAS number: 111-26-2
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
2.06 at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.06
- at the temperature of:
- 25 °C
Additional information
A study was conducted (BASF AG 1238551/12) to determine the logPow of the test item. Using the shake flask method the log Pow was determined in three independent trials. The concentration in the equilibrium phase in 1-octanol and water was determined using GC with external standard calibration. No buffers were used to adjust the pH values. Thus, the pH value depends on the amount of test item used. The log Pow was determined to be 1.68 (pH = 10.3), 1.78 (pH = 10.5) and 1.87 pH = 10.7 at 25 °C. The pKa of the test item was reported to be 10.7 at 25 °C (Broderius et al 1988, see IUCLID section 4.21). Thus, it was assumed that at pH 10.3 the test item was still partly dissociated.
In addition a literature review was conducted. In a weight of evidence approach the literature values and the study result were evaluated. Hansch & Leo 1979 reports the log Pow to be 1.98 at 25 °C without any information about the pH value. Furthermore Takayama et al. 1985 (LOGKOW database 2014) reports the logPow to be 2.06 at pH = 13 and 25 °C using the shake flask method and GLC for analytical determination. Hansch & Leo 1995 reports the log Pow to be 2.06 at 25 °C.
The literature values as well as the study result were in the same range. The recommended value of 2.06 of the LOGKOW database was regarded as most reliable because the pH value was adjusted to pH = 13. Thus the determined logPow refers to the uncharged molecule and is thus in line with the guideline requirements. Furthermore the logPow of 2.06 represents the worst case (highest value) of all reported values. In conclusion a logPow of 2.06 was chosen as key value for chemical safety assessment.
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