Registration Dossier
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EC number: 826-676-4 | CAS number: 521065-36-1
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:
- From 2019-10-24 to 2020-01-10
- 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)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Batch No.: 190722
Purity: > 99 wt% - Analytical method:
- other: UPLC-MS
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- pH:
- 7
- Remarks on result:
- other: temperature not specified
- Details on results:
- In the chromatograms of the test solution, one major test item peak was observed. In the chromatogram of the blank solution product with m/z 100.7 was detected, most probably due to carry over. However, detection of product with m/z 100.7 ion blank solution did not have any impact on the results of the study.
- Conclusions:
- The Pow and log Pow values of the test item at neutral pH were < 2.0 and < 0.3, respectively.
- Executive summary:
The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow) of test item as described in OECD 117.
The Pow and log Pow values of the test item at neutral pH were < 2.0 and < 0.3, respectively.
Reference
Powof the Test Item:
Substance |
Retention time (min) |
log Pow |
Pow |
Peak area |
||
tr,1 |
tr,2 |
mean |
||||
2-Butanone |
0.780 |
0.777 |
0.779 |
0.3 |
|
|
Test item – peak 1 (m/z194.9) |
0.449 |
0.449 |
0.449 |
< 0.3 |
< 2.0 |
91 |
Test item – peak 2 (m/z100.7) |
0.449 |
0.449 |
0.449 |
< 0.3 |
< 2.0 |
8.5 |
Description of key information
The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow) of test item as described in OECD 117.
The Pow and log Pow values of the test item at neutral pH were < 2.0 and < 0.3, respectively.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.3
Additional information
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