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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:
2013
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)
Deviations:
yes
Remarks:
The test- and reference substances were dissolved in methanol
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Chemical name: tert-Amyl peroxypivalate
Trade name: Trigonox 125-C75
CAS number: 29240-17-3
Batch/lot no.: 1205442102
Composition: See CoA
Best before: 01-06-2014
Storage until required: -25°C
Key result
Type:
log Pow
Partition coefficient:
3.3
Temp.:
30 °C
pH:
7

Data retention time and corresponding log k, log Kowdata

Substance

log Kow

theor.

Average net
retention time
(min)

Average
log k

Thiourea

 

0

 

Aniline

0.9

0.46

-0.53

Methyl benzoate

2.1

1.55

0.00

Bromobenzene

3.0

3.69

0.38

Phenantrene

4.5

12.19

0.90

Fluoranthene

5.1

18.74

1.08

4,4'-DDT

6.5

32.12

1.32

tert-Amyl peroxypivalate

 

3.81

0.40

Conclusions:
In the test, the average measured Log Kow value for tert-Amyl peroxypivalate was calculated with the retention time from two injections, using the calibration plot of Log k versus Log Kow of the selected reference substances. The average measured Log Kow value for tert-Amyl peroxypivalate, as determined from the test, was 3.3. tert-Amyl peroxypivalate had a Kow of 2.0E+03.
Executive summary:

The partition coefficient n-octanol/water (Kow) of tert-Amyl peroxypivalate was estimated using the High Performance Liquid Chromatography (HPLC) method. The Kowtest was performed in accordance with the OECD guideline 117 with a modification, the test- and reference 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 Kowvalue for tert-Amyl peroxypivalate, as determined from the test was 3.3. tert-Amyl peroxypivalate had a Kowof 2.0E+03.

Description of key information

The partition coefficient log Kow value for tert-amyl peroxypivalate is 3.3.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.3
at the temperature of:
30 °C

Additional information

The calculated log Kow value by extrapolation is 3.29. The measured partition coefficient log Kow value for tert-amyl peroxypivalate is 3.3.