Registration Dossier
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EC number: 231-391-8 | CAS number: 7529-22-8
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:
- 2012-01-17 to 2012-02-07
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: UV-spectrophotometric analysis
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.2
- Temp.:
- 25 °C
- pH:
- 6.35 - 6.93
- Conclusions:
- The octanol/water partition coefficient (log Pow) of NMMO was determined as -1.20 at pH 6.6 and 25°C.
- Executive summary:
The partition coefficient of the test item was determined according to EU Method A.8. by applying the shake-flask method. The octanol/water partition coefficient (log Pow) of NMMO was determined as -1.20 at pH 6.6 and 25°C.
Reference
In the preliminary estimation, the partition coefficient of NMMO was estimated from the aqueous and octanol solubility as -0.97 log units. As a result, the shake-flask method was selected for the analysis.
Analytical determinations
The following individual results were obtained:
1:1 ratio, duplicate logPow values: -1.20 / -1.20, pH 6.9
1:2 ratio, duplicate log Pow values: -1.14 / -1.14, pH 6.4
2:1 ratio, duplicate log Pow values: -1.25 / -1.25, pH 6.4
The partition coefficient determined from all the ratios applied were found to be within the acceptable limit of ± 0.3 log units with a mean log P of -1.20 at pH of approx 6.6.
Description of key information
The log Pow of NMMO was determined in a GLP study according to EC Test Method A.8, flask shaking method, to be –1.20 at 25 °C (Younis, 2012).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.2
- at the temperature of:
- 25 °C
Additional information
Although the study was performed without pH adjustment, the pKa of the substance (5.14) suggests that the pH of the experimental study (approx 6.6) is high enough for having predominantly the uncharged molecule in the test solutions.
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