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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
25 May 2016 - 09 Sep 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
Attached with the study report
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
- Batch n°: I15AB0305
- Analytical purity: 99.7%
- Expiry/retest date: 23/01/2017
- Test item storage conditions: At room temperature
Analytical method:
high-performance liquid chromatography
photometric method
Key result
Type:
log Pow
Partition coefficient:
> 7.2
Temp.:
20 °C
pH:
7
Type:
Pow
Partition coefficient:
> 16 000 000
Temp.:
20 °C
pH:
7
Details on results:
Calculation method
The Pow of the test item was calculated to be 1.0 E12 (log Pow 12.0) using the Rekker calculation method.

Main test: HPLC method
In the chromatogram of the test item solution, one peak with a retention time of 28.106 minutes was observed.

Under the same analytical conditions, the retention time of 4,4’-DDT (log Pow = 6.5) was 11.477 minutes and the retention time of benzo[ghi]perylene (log Pow = 7.2) was 18.118 minutes. Hence, it was concluded that the log Pow of test item was > 7.2 (Pow > 1.6 E7).
Conclusions:
The HPLC method was applied for the determination of the partition coefficient (Pow) of JNJ-42808415-AAA (T003422).

The Pow and log Pow value of the test item at neutral pH were >1.6E7 and >7.2 respectively.

Description of key information

The partition coefficient of T003422 was determined in a GLP study performed according to OECD Guideline 117, EU Method A.8. and EPA OPPTS 830.7550 (K1, Ciric, 2017).

The HPLC method at pH 7 was applied for the determination of the partition coefficient (Pow). The Pow value of the test item at 20°C and pH 7 was determined to be 1.6 E7. This corresponds to a log Pow value of >7.2.

Key value for chemical safety assessment

Additional information