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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
24 December 2015 to 08 March 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study under GLP
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
other: UPLC-MS
Key result
Type:
log Pow
Partition coefficient:
-2.9
Temp.:
20 °C
pH:
7.1

Ratio
n-octanol : water
[v:v]

Analysed concentration

Pow

log Pow

pH

n-octanol
[g/L]

water
[g/L]

individual

mean

 

 

 

 

 

 

 

1:1

0.000901

0.668

1.3´10-3

1.2´10-3

-2.9

7.1

 

0.000761

0.671

1.1´10-3

 

-2.9

7.1

 

 

 

 

 

 

 

1:2

0.000651

0.488

1.3´10-3

1.2´10-3

-2.9

7.1

 

0.000501

0.469

1.1´10-3

 

-3.0

7.1

 

 

 

 

 

 

 

2:1

0.00121

0.922

1.3´10-3

1.3´10-3

-2.9

7.1

 

0.00131

0.945

1.3´10-3

 

-2.9

7.1

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Mean

1.3´10-3

 

-2.9

 

Standard deviation

1.2´10-4

 

 

 

 

 

 

 

 

 

 

1             Estimated value, calculated by extrapolation of the calibration curve.

Conclusions:
The logPow of the substance is -2.9
Executive summary:

In a shake flask method he octanol-water partition coefficient was determined to be -2.9 (as logPow) at pH 7.

Description of key information

In a shake flask method he octanol-water partition coefficient was determined to be -2.9 (as logPow) at pH 7.

For risk assessment the logKow is set at -1 (minimum value in EUSES)

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.9
at the temperature of:
20 °C

Additional information