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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:
May 2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Well conducted study, according to OECD guideline, certificate of analysis included in the report.
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
April 13nd, 2004
Deviations:
yes
Remarks:
reference substances and test substances were dissolved in methanol
Principles of method if other than guideline:
The reference substances and test substances were dissolved in methanol.
GLP compliance:
no
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.:
27 °C
Remarks on result:
other: pH not noted

The average retention times of the reference substances as well as the test substance, corrected for the dead time, are presented in table IV. The theoretical log Kowvalues of the reference substances were taken from OECD guideline 117. A complete overview of the results is presented in Annex 2.

 

Substance

log Kow
theor.

Average net
retention time
(min)

Average
log k

Sodium nitrate

 

0

 

Aniline

0.9

0.62

-0.33

Phenol

1.5

0.73

-0.26

Methyl benzoate

2.1

1.74

0.12

Bromo benzene

3.0

4.12

0.49

Naphtalene

3.6

5.47

0.61

Phenantrene

4.5

13.70

1.01

4,4’-DDT

6.5

38.02

1.45

1,1,4,4-tetramethylbutane-1,4-diyl bis(2-ethylperoxyhexanoate)

 

83.7

1.80

 

Figure 1 in the attachment displays the graph of the theoretical values of log Kowand the average log k of the reference substances. Figure 2 shows an example of a HPLC-chromatogram from the analysis performed according to the test set up.

Conclusions:
The average measured log Kow value for 1,1,4,4-tetramethylbutane-1,4-diyl bis(2-ethylperoxyhexanoate)as determined from the test was >6.5. As estimation the log Kow value was calculated by extrapolation to be 7.1
Executive summary:

The partition coefficient n-octanol/water (Kow) of 1,1,4,4-tetramethylbutane-1,4-diyl bis(2-ethylperoxyhexanoate)was estimated using the High Performance Liquid Chromatography (HPLC) method. The Kowtest was performed in accordance with the OECD guideline 117 with one modification, the reference substances and test substances were dissolved in methanol. The data on the partition coefficient can be used to predict the adsorption on soil and sediments and for establishing quantitative structure-activity relationships for a wide range of biological effects.

The average measured log Kow value for 1,1,4,4-tetramethylbutane-1,4-diyl bis(2-ethylperoxyhexanoate)as determined from the test was >6.5. As estimation the log Kow value was calculated by extrapolation to be 7.1

Description of key information

The  partition coefficient log Pow  for  1,1,4,4-tetramethylbutane-1,4-diyl bis(2-ethylperoxyhexanoate) is  >6.5. As estimation the log Pow  value was calculated by extrapolation to be 7.1

Key value for chemical safety assessment

Log Kow (Log Pow):
7.1
at the temperature of:
25 °C

Additional information