Registration Dossier

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2013-10-24 - 2013-10-31
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
It should be noted that the pKa of the substance indicates that the test should have been performed at a pH one pH unit above the pKa (free base). However, a partition coefficient at a more relevant pH is considered more applicable and hence the resulting value (actually the log D value at pH 8.0-8.3) can be accepted.
according to guideline
EU Method A.8 (Partition Coefficient)
The substance is inoizable and hence the test should have been performed on the substance in its non-ionized form
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
Specific details on test material used for the study:
- Lot/batch number of test material: 1903-3/2012
- Purity: not indicated
- Appearance: clear liquid
Analytical method:
other: UV-spectrophotometric analysis
Key result
log Pow
Partition coefficient:
20 °C
8 - 8.3
Details on results:
Preliminary estimation: the sample appeared completely miscible in both water and 1-octanol. As a result a Log Pow could not be estimated from the preliminary test.



As the preliminary test revealed no estimated Log Pow, this value has been determined from software predictions to be -0.4.


Formal analysis:

Due to the apparent complete miscibility observed in both phases it is possible that properties such as density and functionality will have a disproportionate effect on the LogP value obtained practically. Due to this, consideration should be given to the LogP values obtained from software estimation.


Software estimation:

The prediction software uses SMILES input to calculate the partition coefficient.

Log Octanol-Water Partition Coef (SRC)

Log Kow (Experimental Database match) = -0.40

Exper. Ref: Hansch, C et al. (1995)

The octanol/water partition coefficient (log Pow) of the test substance was determined as -0.26 at pH 8.0 - 8.3 and 20°C.

Description of key information

The log Pow of the test substance was determined to be -0.26 in a GLP study with EU method A.8 at 20°C and pH 8.0-8.3, following the shake-flask method (Younis, 2013).

Key value for chemical safety assessment

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

Additional information