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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:
November-December 2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Well conducted study, according to OECD guideline 117, certificate of analysis included in the report.
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
April 13, 2004
Deviations:
no
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
1.1
Temp.:
25 °C
Remarks on result:
other: pH not reported
Remarks:
pH not reported

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 the report.

 

Table IV: Data retention time and corresponding log k, log Kowdata

Substance

log Kowtheor.

Average net
retention time
(min)

Average
log k

Sodium nitrate

 

0

 

Aniline

0.9

0.82

-0.15

Phenol

1.5

0.93

-0.10

Methylbenzoate

2.1

1.96

0.23

Bromobenzene

3.0

4.36

0.57

Phenantrene

4.5

14.27

1.09

4,4’-DDT

6.5

38.72

1.52

2,4-Pentanedione, peroxide

 

0.93

-0.10

 

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

in the attachment shows an example of a HPLC-chromatogram from the analysis performed according to the test set up.

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 in the report.

 

Table IV: Data retention time and corresponding log k, log Kowdata

Substance

log Kowtheor.

Average net
retention time
(min)

Average
log k

Sodium nitrate

 

0

 

Aniline

0.9

0.82

-0.15

Phenol

1.5

0.93

-0.10

Methylbenzoate

2.1

1.96

0.23

Bromobenzene

3.0

4.36

0.57

Phenantrene

4.5

14.27

1.09

4,4’-DDT

6.5

38.72

1.52

2,4-Pentanedione, peroxide

 

0.93

-0.10

 

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 in the attachment shows an example of a HPLC-chromatogram from the analysis performed according to the test set up.

The average measured log Kowvalue for 2,4-pentanedione, peroxide was calculated with the retention time from two injections using the calibration plot of log Kowversus log k of the selected reference substances. The average result for log Kowwas determined to be 1.1. In Annex 2 in the report detailed results and calculations are displayed.

Conclusions:
The partition coefficient log Kow value for 2,4-pentanedione, peroxide is 1.1.
Executive summary:

The partition coefficient n-octanol/water (Kow) of 2,4-pentanedione, peroxidewas estimated using the High Performance Liquid Chromatography (HPLC) method. The Kowtest was performed in accordance with the OECD guideline 117. The dataon 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 measuredlog Kowvalue for2,4-pentanedione, peroxide as determined from the test was 1.1.

Description of key information

The partition coefficient  log Kow value for 2,4-pentanedione, peroxide is  1.1.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.1
at the temperature of:
20 °C

Additional information