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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:
18 September 2012 - 17 December 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to other study
Remarks:
validated analytical method used for quantification of the water and octanol samples
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(2008)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
(1995)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
(1996)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
Pow
Partition coefficient:
< 0.036
Temp.:
20 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
< -1.4
Temp.:
20 °C
pH:
7

Table: Results Shake flask method

Ratio

n-octanol : water

[v:v]

Analysed concentration

Pow

log Pow

 

 

pH

 

 

n-octanol

[g/l]

Water

[g/l]

individual

mean

 

 

 

 

 

 

 

1:1

<0.00498

0.140

<3.5 E-2

<3.5 E-2

< -1.5

7.0

<0.00495

0.140

<3.5 E-2

< -1.5

7.0

1:2

<0.00497

0.096

<5.2 E-2

<4.9 E-2

< -1.3

7.0

<0.00498

0.107

<4.6 E-2

< -1.3

7.0

2:1

<0.00488

0.217

<2.2 E-2

<2.5 E-2

< -1.6

7.0

<0.00497

0.185

<2.7 E-2

< -1.6

7.0

 

The log Pow values were within the criterion range of ± 0.3 log units. Based on this, the Pow and log Pow of the test substance are given as the mean value of all measurements.

 

Conclusions:
The log Pow of the substance at pH 7 and 20°C was determined to be < -1.4 (Pow < 3.6 E-02).
Executive summary:

The log Pow of the substance was determined using the shake-flask method in a GLP study according to EC A.8, OECD 107 and OPPTS 830.7550. The log Pow of the substance at pH 7 and 20°C was determined to be  < -1.4 (Pow  < 3.6 E-02).

Description of key information

log Pow at pH 7 and 20°C: < -1.4 (shake flask method: EC A.8, OECD 107, OPPTS 830.7550).

Pow at pH 7 and 20°C: < 3. 6 E-02.

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.4
at the temperature of:
20 °C

Additional information

Key value for CSA: log Pow < -1.4 at the temperature of 20°C