Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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