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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:
From 01 July 2015 to 26 July 2016.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
1996
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
other: Ultra performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.3
Temp.:
20 °C
pH:
6
Remarks on result:
other: Peak area: 7.9%.
Type:
log Pow
Partition coefficient:
2.7
Temp.:
20 °C
pH:
6
Remarks on result:
other: Peak area: 66%.
Type:
log Pow
Partition coefficient:
2.2
Temp.:
20 °C
pH:
6
Remarks on result:
other: Peak area: 3.0%.
Type:
log Pow
Partition coefficient:
1.6
Temp.:
20 °C
pH:
6
Remarks on result:
other: Peak area: 23%.
Details on results:
The chromatogram of the test substance solution (500 mg/L) showed four substance peaks with areas ranging from 3.0% to 66%.


Table: Results Partition coefficient n-octanol-water (HPLC-method)

 

Substance

tr,1
[min]

tr,2
[min]

mean tr

log Pow

Pow

Peak area
%

 

 

 

 

 

 

 

Formamide (t0)

0.563

0.564

0.564

 

 

 

 

 

 

 

 

 

 

2-Butanone

0.660

0.658

 

0.3

 

 

Nitrobenzene

0.906

0.902

 

1.9

 

 

Bromobenzene

1.501

1.497

 

3.0

 

 

Biphenyl

2.499

2.494

 

4.0

 

 

Dibenzyl

4.134

4.118

 

4.8

 

 

4,4’-DDT

10.737

10.740

 

6.5

 

 

 

 

 

 

 

 

 

Substance Peak1

0.844

0.843

0.844

1.6

3.8E01

23

Substance Peak2

1.028

1.027

1.028

2.2

1.8E02

3.0

Substance Peak3

1.202

1.201

1.202

2.7

4.6E02

66

Substance Peak4

1.587

1.586

1.587

3.3

1.9E03

7.9

 

 

 

 

 

 

 

Note: Log Pow values for the reference substances are mentioned in OECD TG 117.

Conclusions:
A log Pow range of 1.6-3.3 was determined for the substance PEMP product.
Executive summary:

A log Pow range of 1.6-3.3 was determined for the substance PEMP product. The log Pow was determined using the HPLC method in a GLP study according to EC A.8, OECD 117 and OPPTS 830.7570. The mobile phase was 75/25 (v/v) methanol/buffer pH 6 and the wavelength of detection 210 nm. Duplicate measurements were performed. Both chromatograms of the test substance solution (500 mg/L) showed four substance peaks with areas ranging from 3.0% to 66%. The log Pow value for the peaks with areas of 66%, 23%, 7.9% and 3.0% was determined to be 2.7, 1.6, 3.3 and 2.2, resp.

Description of key information

Log Pow range: 1.6-3.3 (EC A.8, OECD 117 and OPPTS 830.7570: HPLC method).

Key value for chemical safety assessment

Log Kow (Log Pow):
3.3
at the temperature of:
20 °C

Additional information

The chromatogram of the test substance solution (500 mg/L) showed four substance peaks with areas ranging from 3.0% to 66%.

The maximum value of the log Pow range was chosen as the key value for CSA (worst-case approach).