Registration Dossier
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EC number: 695-878-0 | CAS number: 1283129-18-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Attached with the study report
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- 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
- pH:
- 7
- Remarks on result:
- other: The temperature of the reference substances was not reported but assumed room temperature
- Type:
- Pow
- Partition coefficient:
- > 16 000 000
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: The temperature of the reference substances was not reported but assumed room temperature
- 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.
Reference
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
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