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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Substance ID: TSN100227
Purity: 99.8%
Lot No.: MM 930503-17
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
5.21
Temp.:
20 °C
Remarks on result:
other: Pow: 160000 ± 7000
Details on results:
The detector calibration for the HPLC analysis was found to be linear over the range 0.039 to 20 mg/L for standard solutions in acetonitrile, with a regression coefficient of 0.9969. No peaks were observed in the chromatograms of the blank solutions indicating that the analytical methods were free from interference.
Conclusions:
Pow: 160000 ± 7000
log10 Pow: 5.21 ± 0.02
Executive summary:

The study was performed to determine the octanol/water partition coefficient of the test substance by the shake flask method. The test was performed according to the guidelines EEC Method A8, OECD Method 107 and EPA/OPPTS 830.7550.

The partition coefficient was determined at 20 ± 0.5°C by the shake flask method. The octanol/water partition coefficient, Pow, of the test substance was found to be 160000 ± 7000 (log10 Pow = 5.21 ± 0.02).

Description of key information

OECD 107; OPPTS 830.7550; EU Method A.8

Key value for chemical safety assessment

Log Kow (Log Pow):
5.21
at the temperature of:
20 °C

Additional information