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Physical & Chemical properties

Partition coefficient

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partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 Dec 2017 to 19 Feb 2018
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
according to guideline
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
23 November 2004
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
other: 75/25 Methanol/Water
Specific details on test material used for the study:
- Appearance: Viscous amber liquid (determined by Charles River Den Bosch)
- Purity/Composition: >85%
- Test item storage: At room temperature
- Additional information
- Test Facility test item number: 209080/A
- Purity/Composition correction factor: No correction factor required
- Test item handling: No specific handling conditions required
- Molecular structure: Not indicated
- Molecular formula: C63H116O12
- Molecular weight: 1065.6
Analytical method:
high-performance liquid chromatography
Partition coefficient:
> 16 000 000
35 °C
log Pow
Partition coefficient:
> 7.2
35 °C
Details on results:
HPLC Method
UPLC-UV chromatograms of the test item solution and corresponding blank are shown in Figure 4 and Figure 5, respectively. In the chromatogram of the test item solution, one peak with a retention time of 37.2 minutes was observed. Under the same analytical conditions, the retention time of 4,4’-DDT (log Pow = 6.5) and of benzo[ghi]perylene (log Pow = 7.2) was much shorter (see Table 7). It was concluded that the log Pow of test item was > 7.2 (Pow > 1.6 x 10^7).

Table 7: Pow of the Test Item

Substance Retention time (min)     Log Pow Pow
tr.1 tr.2 mean
4,4'-DDT 11.328 11.439   6.5  
Benzo[ghi]perylene 17.841 18.408   7.2  
Test item - peak 4 37.212 37.212 37.212 >7.2 >1.6x10^7
The methanol-water partition coefficient of the test substance was determined to be >7.2 Log Pow under the conditions of the test.
Executive summary:

In this guideline (OECD 117) study, conducted with GLP certification, the methanol-water partition coefficient was found to be 7.2.

Description of key information

Study conducted to recognised testing guidelines [with GLP certification].

Key value for chemical safety assessment

Log Kow (Log Pow):
at the temperature of:
35 °C

Additional information