Registration Dossier
Registration Dossier
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EC number: 272-657-3 | CAS number: 68901-15-5
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:
- 01 Dec - 02 Dec 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Staatliches Gewerbeaufsichtsamt Hildeshelm
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.8
- Temp.:
- 24.7 °C
- Remarks on result:
- other: No pH value was measured for this mobile phase, because it is neutral. Furthermore the test item does not have functional groups with influence on the pH value of the mobile phase.
- Conclusions:
- The log Pow of the test item was determined to be 2.80 at 24.7 °C.
- Executive summary:
The partition coefficient (n-octanol / water) of the test item was determined according to OECD Guideline 117 (2004) and Council Regulation (EC) No. 440/2008 Method A.8 under GLP. The test was performed with a concentration of 2750 mg/L test item in 55 % methanol : 45 % HPLC water. Samples of the test item were analysed via HPLC on a C18 column with diode array detection. Thg logPow of test item was determined to be 2.8 at 24.7 °C.
Reference
Results of Test Item Analysis
The mean temperature of 24.7 °C was inside the range of 20 - 25 °C ± 1 °C during the course of the study.
Retention Times, Capacity Factors and Partition Coefficients of the test item
Test item | tR(min) | k | Log k | Log Pow | |
10.765 | 17.9 | 1.25 | 1stcalibration | 2ndcalibration | |
10.775 | 17.9 | 1.25 | 2.80 +/- 0.06 2.65 to 2.95 (95 % CI) | 2.80 +/- 0.06 2.65 to 2.95 (95 % CI) | |
Mean | 10.770 | 17.9 | 1.25 | 2.80 | |
tR: Retention time
k: Capacity factor test item
Pow: Partition Coefficient (n-octanol / water)
CI : Confidence Interval
Conclusions
Two individual log Pow values for the test item were derived under consideration of the first and second calibration. A mean value was calculated from these individual log Pow values to be 2.80.
Description of key information
The log Pow of the test item was determined to be 2.80 at 24.7 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.8
- at the temperature of:
- 24.7 °C
Additional information
The partition coefficient (n-octanol / water) of the test item was determined according to OECD Guideline 117 (2004) and Council Regulation (EC) No. 440/2008 Method A.8 under GLP. The test was performed with a concentration of 2750 mg/L test item in 55 % methanol : 45 % HPLC water. Samples of the test item were analysed via HPLC on a C18 column with diode array detection. Thg logPow of test item was determined to be 2.8 at 24.7 °C.
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