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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:
17 June 2015 - 16 July 2015
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
Key result
Type:
log Pow
Partition coefficient:
3.8
Remarks on result:
other: Non-buffered mobile phase
Type:
Pow
Partition coefficient:
6 600
Remarks on result:
other: Non-buffered mobile phase
Details on results:
In the HPLC chromatogram of the test substance solution, one test substance peak was observed (see attached document).

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

Substance

tr,1
[min]

tr,2
[min]

mean tr
(n=2)

log Pow

Pow

Area
%

 

 

 

 

 

 

 

Formamide (t0)

0.560

0.562

0.561

 

 

 

 

 

 

 

 

 

 

Nitrobenzene

0.891

0.890

 

1.9

 

 

Bromobenzene

1.468

1.467

 

3.0

 

 

1,4-Dichlorobenzene

1.823

1.822

 

3.4

 

 

Biphenyl

2.433

2.432

 

4.0

 

 

1,2,4-Trichlorobenzene

2.812

2.810

 

4.2

 

 

Dibenzyl

4.014

4.012

 

4.8

 

 

 

 

 

 

 

 

 

Test substance

2.214

2.211

2.213

3.8

6.6E03

100

 

 

 

 

 

 

 

Conclusions:
Using the HPLC method with a non-buffered mobile phase and detection at 210 nm, the log Pow of Dibutyl itaconate has been determined as 3.8. The study is performed in accordance with EC A.8, OECD 117 and EPA OPPTS 830.7570 guidelines and in compliance with GLP.

Description of key information

Using the HPLC method with a non-buffered mobile phase and detection at 210 nm, the log Pow of Dibutyl itaconate has been determined as 3.8. The study is performed in accordance with EC A.8, OECD 117 and EPA OPPTS 830.7570 guidelines and in compliance with GLP.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.8
at the temperature of:
20 °C

Additional information