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Partition coefficient

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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
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
no deviations from guideline
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
The Dow Chemical Company, Freeport, Texas (Lot# XA2355T643)
Non-GLP certificate of analysis indicates purity of > 99% as DIBK and DIBK isomers
Type:
log Pow
Partition coefficient:
3.71
Temp.:
25 °C
Remarks on result:
other: pH not relevant for HPLC method, as the substance is not ionizable
Details on results:
The Log Pow value for DIBK was estimated based on its chromatographic retention time in a standard HPLC assay following the OECD 117 guideline. The test substance eluted as a single chromatographic peak, having a retention time of 4.93 minutes, which correlates to an estimated log Pow of 3.71

none

Conclusions:
The Log Pow value for DIBK was estimated based on its chromatographic retention time in a standard HPLC assay following the OECD 117 guideline. The test substance eluted as a single chromatographic peak, having a retention time of 4.93 minutes, which correlated to an estimated log Pow of 3.71. Based on this value of log Pow, the substance is regarded as having low potential for accumulation in aquatic organisms.
Executive summary:

The Log Pow value for DIBK was estimated based on its chromatographic retention time in a standard HPLC assay following the OECD 117 guideline. The test substance eluted as a single chromatographic peak, having a retention time of 4.93 minutes, which correlated to an estimated log Pow of 3.71. Based on this value of log Pow, the substance is regarded as having low potential for accumulation in aquatic organisms.

Description of key information

 The partition coefficient for 2,6-dimethylheptan-4-one (diisobutyl ketone) is determined by the HPLC method to be 3.71.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.71
at the temperature of:
20 °C

Additional information

The Log Pow value for DIBK was estimated based on its chromatographic retention time in a standard HPLC assay following the OECD 117 guideline. The test substance eluted as a single chromatographic peak, having a retention time of 4.93 minutes, which correlated to an estimated log Pow of 3.71.