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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:
2012-06-21 to 2012-06-22
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
adopted 13th April 2004
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
May 2008
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
August 1996
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
shake-flask method to: flask 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:
6.4
Details on results:
In the course of this study the partition coefficient (Pow) of ditetradecyl peroxydicarbonate was determined using high performance liquid chromatography.
Because of the test item properties a short HPLC column and mobile phase with high elution strength had to be applied. Under these circumstances the retention times of the reference items were below 1 minute.
The correlation coefficient R for the relationship between log k and log Pow of the reference item is 0.959.
The short retention times and the relatively high standard deviations (CV%) caused that quality criteria were not met, as values of log Pow derived from individual measurements did not fall within a range of 0.1 log units.
Retention time of ditetradecyl peroxydicarbonate (35.52 minures) is significantly higher than the last eluting standard (DDT) (0.81 minutes); therefore an accurate value of log Pow could not be given. As quality criteria of the calibration data were not met and the estimated partition coefficient of the test item is much more greater than the last eluting standard; the extrapolated log Pow value was not calculated, but the result is considered scientifically valid.
The estimated log Pow of ditetradecyl peroxydicarbonate is > 6.5.
Conclusions:
Using the flask method the n-octanol/water partition coefficient of ditetradecyl peroxydicarbonate was determined to be much more higher than the last eluting standard (DDT). The estimated log Pow of ditetradecyl peroxydicarbonate is > 6.5.
Executive summary:

The partition coefficient (n-octanol/water) of ditetradecyl peroxydicarbonate was estimated using the flask method according to EU method A.8, OECD guideline no. 117 and OPPTS guideline 830.7570. The n-octanol/water partition coefficient of ditetradecyl peroxydicarbonate was determined to be much more higher than the last eluting standard (DDT). The estimated log Pow of ditetradecyl peroxydicarbonate is > 6.5.

Description of key information

Using the flask method the n-octanol/water partition coefficient of ditetradecyl peroxydicarbonate was determined to be much more higher than the last eluting standard (DDT). The estimated log Pow of ditetradecyl peroxydicarbonate is > 6.5. QSAR calculation resulted in a logPow value of 13.01.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.5
at the temperature of:
25 °C

Additional information

The partition coefficient (n-octanol/water) of ditetradecyl peroxydicarbonate was estimated using the flask method according to EU method A.8, OECD guideline no. 117 and OPPTS guideline 830.7570. The n-octanol/water partition coefficient of ditetradecyl peroxydicarbonate was determined to be much more higher than the last eluting standard (DDT). The estimated log Pow of ditetradecyl peroxydicarbonate is > 6.5.

QSAR calculation resulted in a logPow value of 13.01.

For risk assessment the experimental value of 6.5 was applied.