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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:
07 Jul 2017 - 07 Sep 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
other: EU method A.24 (Partition coefficient (n-octanol / water), HPLC method)
Version / remarks:
2016
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:
high-performance liquid chromatography
Key result
Type:
Pow
Partition coefficient:
89
Temp.:
20 °C
Remarks on result:
other: Unbuffered mobile phase.
Key result
Type:
log Pow
Partition coefficient:
1.9
Temp.:
20 °C
Remarks on result:
other: Unbuffered mobile phase.
Details on results:
- Retention times of reference substances used for calibration: see table below;
- Details of fitted regression line: log k' = 0.487 x log Pow – 0.674 (r = 0.955, n=12);
- Graph of regression line and chromatograms: see attachment;
- Average retention data for test item: see table in other information on results;
- The value of log Pow obtained from duplicate measurements was within ± 0.1 log units.



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

Substance

Retention time (min)

log Pow

Pow

tr,1

tr,2

mean

Formamide (t0)

1.191

1.190

1.191

 

 

Benzylalcohol

1.950

1.948

 

1.1

 

Nitrobenzene

3.345

3.344

 

1.9

 

Toluene

7.751

7.751

 

2.7

 

1,4-Dichlorobenzene

13.213

13.206

 

3.4

 

Biphenyl

22.324

22.324

 

4.0

 

1,2,4-Trichlorobenzene

26.278

26.278

 

4.2

 

TI208477

3.444

3.424

3.434

1.9

8.9E1

Remark: the log Pow values of the reference substances are according to OECD TG 117.

Conclusions:
The log Pow of the substance is 1.9.

Executive summary:

The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.8, OECD 117 and OPPTS 830.7570. Formamide was used as unretained substance. Duplicate injections of unretained substance, 6 reference substances and test item in an HPLC-UV system. The mobile phase was 60/40 (v/v) methanol/water and the wavelength of detection was 210 nm. The chromatogram of the test item showed one peak. The mean (n=2) log Pow was determined to be 1.9 (Pow= 8.9E1)

Description of key information

The log Pow of the substance is 1.9.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.9
at the temperature of:
20 °C

Additional information

Determined using the HPLC method in a GLP study according to EC A.8, OECD 117 and OPPTS 830.7570.