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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:
08 October 2018 (experimental starting date) - 06 November 2018 (experimental completion date)
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
27 July 1995
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
30 May 2008
GLP compliance:
yes (incl. QA statement)
Type of method:
other: shake-flask method
Partition coefficient type:
octanol-water
Analytical method:
other: gas chromatography mass spectrometry (GC-MS)
Type:
Pow
Partition coefficient:
1.48
Temp.:
22 °C
pH:
ca. 10
Key result
Type:
log Pow
Partition coefficient:
0.154
Temp.:
22 °C
pH:
ca. 10
Details on results:
Although the Test Item had an estimated dissociation constant of approximately 8.9, the aqueous phase was not buffered. Even so, partitioning of the Test Item into the aqueous phase caused the pH to rise to approximately 10.0 which meant that the Test Item was essentially in its neutral form. Buffering the aqueous phase so that it was two pH units above its dissociation constant would only mean the result was at an even less environmentally relevant pH.

Flask  Organic/Aqueous Volume Ratio  Partition Coefficient  Log10 Pow  Mean Partition Coefficient
 1  2:1  1.11  0.046 1.08    
 2  2:1  1.05  0.020
 3  1:1  
1.56
0.192     1.36
 4  1:1  
1.17
0.067 
 5  1:2  1.97  0.294     1.99
 6  1:2  2.01  0.304
Conclusions:
The partition coefficient of the test item has been determined to be 1.48 at 22.0 ± 0.5 °C, and a log10 Pow of 0.154.
Executive summary:

The partition coefficient of the test item has been determined to be 1.48 at 22.0 ± 0.5 °C, and a log10 Pow of 0.154.

Description of key information

The partition coefficient of the test item has been determined to be 1.48 at 22.0 ± 0.5 °C, and a log10 Pow of 0.154.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.154
at the temperature of:
22 °C

Additional information