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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:
2012-03-26 to 2012-03-27
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:
adopted 13th April 2004
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
May 2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
August 1996
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
25 °C
pH:
6.5
Key result
Type:
log Pow
Partition coefficient:
7.2
Temp.:
25 °C
pH:
6.5
Remarks on result:
other: extrapolated logPow
Details on results:
As the retention time of the test item is higher than the last eluting standard (DDT), an accurate value of log Pow could not be given. The extrapolated log Pow value calculated for the test item was 7.20.

Calibration:


The three calibration series and three test item series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using 7 reference items. The capacity factors were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values.

Conclusions:
The partition coefficient log Pow (n-octanol/water) of 1,1-bis(tert-butylperoxy)cyclohexane was assessed in accordance with OECD guideline no. 117, EU method A.8 and OPPTS 830.7570 guideline using the HPLC method. The retention times of 1,1-bis(tert-butylperoxy)cyclohexane is higher than the last eluting standard (DDT). The extrapolated log Pow values calculated for the test item was 7.2.
Executive summary:

The partition coefficient (n-octanol/water) of 1,1-bis(tert-butylperoxy)cyclohexane was assessed in accordance with OECD guideline no. 117, EU method A.8 and OPPTS 830.7570 guideline. In the course of this study the partition coefficient (Pow) of the test item was determined using high performance liquid chromatography. The retention times of 1,1-bis(tert-butylperoxy)cyclohexane is higher than the last eluting standard (DDT), therefore an accurate value of logPow could not be given. The extrapolated log Pow values calculated for 1,1-bis(tert-butylperoxy)cyclohexane was 7.2.

Description of key information

The partition coefficient log Pow (n-octanol/water) of cyclohexylidenebis[tert-butyl] peroxide was determined to be 7.2 using the HPLC method.

Key value for chemical safety assessment

Log Kow (Log Pow):
7.2
at the temperature of:
25 °C

Additional information

The partition coefficient (n-octanol/water) of 1,1-bis(tert-butylperoxy)cyclohexane was assessed in accordance with OECD guideline no. 117, EU method A.8 and OPPTS 830.7570 guideline. In the course of this study the partition coefficient (Pow) of 1,1-bis(tert-butylperoxy)cyclohexane was determined using high performance liquid chromatography. The retention times of 1,1-bis(tert-butylperoxy)cyclohexane is higher than the last eluting standard (DDT), therefore, an accurate value of logPow could not be given. The extrapolated log Pow value calculated for 1,1-bis(tert-butylperoxy)cyclohexane was 7.2.