Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
not applicable
GLP compliance:
yes (incl. QA statement)
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Purity: 99.3 %
Batch number: 120839
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.16
Temp.:
25 °C
pH:
5.3
Remarks on result:
other: Mean value of 3 single values
Details on results:
The partition coefficient (Pow) was determined according to the HPLC method at 40 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow- values of reference substances determined at 25 °C.

Calibration substances (log Pow):

- Acetanilide: 1.0

- Nitrobenzene: 1.9

- 2,3-Dichloroaniline: 2.8

- Biphenyl: 4.0

- Phenanthrene: 4.5

- Triphenylamine: 5.7

Conclusions:
The average partition coefficient (log Pow) was determined to be 4.2 at 25 °C (pH 5.3).
Executive summary:

The partition coefficient (Pow) of 4.2 was determined according to the HPLC method at 40 °C. In order to comply with the guideline OECD 117 and considering environmental relevance, buffered water at pH 5 was chosen. The reference Pow-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow- values of reference substances determined at 25 °C. For the determination of the partition coefficient (Koc) six calibration standards with log Koc from 1.0 -5.7 are established in the EG-test method. The chromatogram of the test item showed 1 signal eluting at 3.9 minutes. All validity criteria have been met.

Description of key information

The average partition coefficient (log Pow) was determined to be 4.2 at 25 °C (pH 5.3).

Key value for chemical safety assessment

Log Kow (Log Pow):
4.2
at the temperature of:
25 °C

Additional information

The QSAR determination of the logarithmic octanol-water partition coefficient for 1,4-dihydroxyanthraquinone using the model KOWWIN included in the Estimation Program Interface (EPI) Suite v4.11 revealed a value of 3.94. This result supports the measured value.