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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 2017-08-18 to 2017-08-22
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
TOXI-COOP Toxicological Research Center Zrt., H-8230 Balatonfüred, Arácsi u. 97-99, Hungary (+ 5 further Hungarian addresses)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-3.26
Temp.:
20 °C
pH:
ca. 6.7
Key result
Type:
Pow
Partition coefficient:
0.001
Temp.:
20 °C
pH:
ca. 6.7

Table 2: Calculated partition coefficient (Pow) and log Pow

Ratio of solvents
(n-Octanol : Water)

Partition

coefficient
Pow

 Log Partition coefficient
Log Pow
4 : 1 0.00054 -3.27
2 : 1 0.00066 -3.18
8 : 1 0.00047 -3.33
Mean all 0.00055 -3.26
Conclusions:
In conclusion, the partition coefficient (Pow) of the test item in an n-octanol / water two-phase system was determined to be 0.00055 using shake flask method. The log Pow was determined to be -3.26.
Executive summary:

A study was conducted in accordance with OECD TG 107,Regulation (EU) 440/2008 method A.8andOPPTS 830.7550 in orderto determine the partition coefficient of the test substance using the shake flash method.Three experiments were carried out applying different solvent ratios (octanol : water with ratios 4 : 1, 2 : 1 and 8 : 1). Three replicate tests were carried out at each solvent ratio. Test temperature was 20 ± 1 °C. The prepared samples were analysed by HPLC using the previously validated reverse phase HPLC method with UV detection.The partition coefficient (Pow) of the test item in an n-octanol / water two-phase system was determined to be 0.00055 using the shake flask method. The log Powwas determined to be -3.26.

Description of key information

The partition coefficient (Pow) of the test item in an n-octanol / water two-phase system was determined to be 0.00055 using shake flask method. The log Pow was determined to be -3.26.

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.26
at the temperature of:
20 °C

Additional information

A study was conducted in accordance with OECD TG 107, Regulation (EU) 440/2008 method A.8 and OPPTS 830.7550 in order to determine the partition coefficient of the test substance using the shake flash method (reference 4.7-1). Three experiments were carried out applying different solvent ratios (octanol : water with ratios 4 : 1, 2 : 1 and 8 : 1). Three replicate tests were carried out at each solvent ratio. Test temperature was 20 ± 1 °C. The prepared samples were analysed by HPLC using the previously validated reverse phase HPLC method with UV detection. The partition coefficient (Pow) of the test item in an n-octanol / water two-phase system was determined to be 0.00055 using the shake flask method. The log Pow was determined to be -3.26.