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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was conducted according to an appropriate EU test method and in compliance with GLP.
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
22 °C
pH:
6

In the HPLC chromatograms of the test item, using UV detection, one large test substance peak was observed. It was assumed that the large peak derives from the of test substance.

The to was determined to be 1.31 minutes as a mean value of both measurements (i. e. 1.31 and 1.31 minutes).

The (mean) values of the retention times, k' values, log k' values and log POW values are summarized in the table below:

 Calibration substance  1. Inj. tR [min]  2. Inj. tR [min]  mean tR [min]  k  log k  log POW*
 2 -Butanone  1.65  1.64  1.65  0.25  -0.60  0.3
 Acetanilide  1.71  1.70  1.70  0.30  -0.53  1.0
Cinnamyl alcohol  2.12  2.10  2.11  0.61  -0.22  1.9
 2,6 -Dichlorobenzonitrile 2.97  2.95  2.96  1.25  0.10  2.6
Allyl phenyl ether  4.46  4.42  4.44  2.38  0.38  2.9
 Benzophenone  3.84  3.81  3.83  1.91  0.28  3.2
 Cumene  8.54  8.45  8.50  5.47  0.74  3.7
 Diphenylether  7.79  7.70  7.75  4.90  0.69  4.2
 Fluoranthene  21.45  21.37  21.41  15.31  1.19  5.1
 4,4'-DDT  35.24  35.44  35.34  25.93  1.41  6.5
             
 Test item            
 Hostanox O 3 Pills  78.2  76.4  77.3  57.9  1.76  >6.5*1

*from OECD guideline 117, (adopted 2004)

*1 above log POW of the highest calibration substance (DDT)

The log POW values were plotted against log k' values. Interpolation from the regression line: a = 2.21; b = 2.70; r2 = 0.9688

Conclusions:
In conclusion, the octanol water partition coefficient value of >6.5 were obtained for ethylene bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate], using a HPLC method.

Description of key information

Partition coefficient (substance): Log Kow = 13.7 at 25°C

Key value for chemical safety assessment

Log Kow (Log Pow):
13.7
at the temperature of:
25 °C

Additional information

The partition coefficient value Log KOW (octanol/water) was determined in a reliable study conducted according to OECD guideline 117 to > 6.5.

Followed by a reliable QSAR determination using KOWWIN v1.68 to 13.7.

Partition coefficient value Log KOW(octanol/water) 13.7