Registration Dossier

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: MH-12/2014
Analytical method:
other: Concentration were quantified with absorbance vs concentration.
Key result
Type:
log Pow
Partition coefficient:
-3.51
Temp.:
20 °C
Remarks on result:
other: pH not specified

Individual Results

Preliminary Visual Estimation of the n-octanol solubility

100 mg of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles.

Table: Appearance of the test mixtures

Amount of test item in mg

Volume in ml

Total volume in ml

Stirring time

Appearance of mixture

1

5

5

60 min

undissolved

1

10

10

60 min

undissolved

1

20

20

60 min

dissolved

 

Calculation of the partition coefficient log Pow from the preliminary tests

The partition coefficient P ow may be estimated from the saturation concentrations in n-octanol and water by the following equation:

 

P ow = cs octanol /cs water

 

s= saturation

 

With the data obtained from the experiments in chapter 3.5.1 (cs > 50 mg/l) and in the preliminary test (water solubility: cs = 257 g/l) the partition coefficient was calculated as log POW -3.7. Due to the fact, that the estimated log Pow is below -2.0, the partition coefficient n-octanol/water has to be estimated from the individual solubility in water and n-octanol.

 

Determination of the solubility in the n-Octanol phase: Flask Methods

Table: Solubility of the test item –experiments A to D

Experiment

A

B

C

D(blank)

Amount of test item (mg)

100

100

100

--

Stirring time at 30°C (h)

24

48

72

72

Aliquot of the flasks (ml)

1

1

1

1

End volume (ml)

10

10

10

10

Measured concentration (μg/ml)

8.6

7.3

8.1

--

Solubility (mg/l)

86

73

81

--

 

Table: Concentrations of the standards for recheck:

n-octanol solubility

 (average): 80 mg/l Standard

Measured concentration

(μg/ml)

% Recovery

Sample C +

Standard 2 (c= 7.8 μg/ml)

15.8

99.4

Sample C +

Standard 3 (c= 10.4 μg/ml)

18.7

101.1

 

Calculation of the partition coefficient log Pow from the individual solubilities

By means of the flask method, the saturation concentration of the test item in n-octanol was determined to: 80 mg/l.

By means of the flask method, the saturation concentration of the test item in water was determined to: 257 g/l

Table: Calculation of the partition coefficient from the individual solubility:

P ow = cs octanol /cs water

P ow

log P ow

80 mg/l / 257000 mg/l

3.11*10-4

-3.51


 

Conclusions:
The partition coefficient n-octanol/water of FAT 40069/D at 20 °C, from the individual solubility in water and n-octanol, was determined to be: log Pow -3.51
Executive summary:

The purpose of the study was determination of the partition coefficient n-octanol / water of the test item FAT 40069/D according to OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method) and EU Method A.8 (Partition Coefficient). The partition coefficient n-octanol/water of FAT 40069/D at 20°C, from the individual solubility in water and n-octanol, was determined to be: log Pow -3.51

Description of key information

The partition coefficient, n-octanol/water of FAT 40069/D at 20 °C was determined to be -3.51.

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.51
at the temperature of:
20 °C

Additional information

The determination of the partition coefficient n-octanol / water was performed according to OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method) and EU Method A.8 (Partition Coefficient).

Categories Display