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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From January the 19th to February the 07th, 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Temp.:
20 °C
pH:
< 1.3
Remarks on result:
not determinable
Details on results:
MAIN TEST
Due to the fact, that the test item consist of several components, as much peaks for the test item were observed. The retention time is calculated for the each peak separately.
For all three peaks the retention time is less than the retention time of the measured reference item with the lowest partition coefficient (4-Methoxyphenol).

PRELIMINARY TEST
The preliminary test at room temperature showed, that the octanol solubility of the test item was > 379 g/l.
With the preliminary test results water solubility of > 8 g/l and the definitive test results of 14.69 g/l at 20 °C, determined in the specific study (see IUCLID section 4.8), and the solubility in octanol of > 379 g/l determined from this preliminary test, the partition coefficient was estimated to be between 1 and 1.66.

REFERENCE ITEMS

Reference item log Pow
1st measurement 2nd measurement
4-Methoxyphenol 1.3 1.3
Phenol 1.5 1.5
p-Cresol 1.9 1.9
4-Chlorophenol 2.4 2.4
1-Naphthol 2.7 2.7
4-Phenylphenol 3.2 3.2
2,4,6-Trichlorophenol 3.7 3.7
Conclusions:
log Pow < 1.3 at 20 °C
Executive summary:

The partition coefficient of test item was determined by HPLC method following the procedures outlined into the OECD guideline 117.

The main test was performed using formamide as dead time marker. The dead time marker was injected and measured twice before the reference items and the test item. After that two series of measurements of the reference and test items were performed.

After the measurements of the retention times tR the log k values of the reference items were plotted as a function of their log Pow values.

The partition coefficient of the test item was obtained by interpolation of the calculated capacity factor on the calibration graph of the reference items.

Due to the fact, that the test item consist of several components, as much peaks for the test item were observed. The retention time is calculated for the each peak separately. For all three peaks the retention time resulted to be less than the retention time of the measured reference item with the lowest partition coefficient (4-Methoxyphenol).

Conclusion

log Pow < 1.3 at 20 °C

Description of key information

log Pow < 1.3 at 20 °C

Key value for chemical safety assessment

Additional information

OECD 117 - HPLC method