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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
16 April to 11 May 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable, well-documented study report which meets basic scientific principles

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Principles of method if other than guideline:
Estimation of the partition coefficient by calcuation from the individual solubilities in water and in n-octanol (which were determined by the flask method, EU A.6 / OECD TG 105).
GLP compliance:
yes (incl. QA statement)
Type of method:
other: Calculation
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
Montan waxes, type CaV 102
IUPAC Name:
Montan waxes, type CaV 102
Details on test material:
Test item: Licomont CaV 102 Fine Grain

Study design

Analytical method:
other: Gravimetry

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
< 0
Temp.:
20 °C
pH:
>= 5.6 - 5.8

Any other information on results incl. tables

4.4.1. Preliminary Visual Estimation of the Water Solubility

The preliminary visual experiments showed that the solubility of the test item in water is below 4.4 mg/L (without correction for the purity).

4.4.2. Preliminary Visual Estimation of the n-Octanol Solubility

According to this preliminary test the solubility of the test item in n-octanol is below 5.2 mg/L (without correction for the purity).

4.4.3. Calculation of the Partition Coefficient log Pow from the Preliminary Tests

With the data obtained from the experiments in chapter 4.4.1 and 4.4.2 the partition coefficient was calculated as log Pow = ca. 1

4.4.4. Determination of the Solubility in water: Flask Method

Table 1: Solubility of the test item in water — experiments A to D

Experiment

A

B

C

D (blank)

Amount of test item (mg)

50.0

50.7

50.1

-

Stirring time at 30 °C (h)

24

48

72

72

pH at 23 °C

5.8

5.8

5.6

5.3

Weight residue in flask (g)

0.008

0.008

0.006

0.002

Measured concentration (g/kg)

0.044

0.046

0.034

0.009

Water solubility (g/L)1)

 0.035

0.037

0.025

-

1)   For the evaluation of the water solubility the measured concentration of experiment D (blank) was subtracted from the measured concentrations of the experiments A to C. The results were converted using the density of water at 20 °C (0.998 g/cm³).

 

The water solubility of the test item was determined to be: c (water, sat.) = 0.03 g/L

 

4.4.5. Determination of the Solubility in n-octanol: Flask Method

 

Table 2: Solubility of the test item in n-octanol— experiments E to H

Experiment

E

F

G

H (blank)

Amount of test item (mg)

50.9

50.5

50.4

-

Stirring time at 30 °C (h)

24

48

72

72

Weight residue in flask (g)

0.006

0.002

0.008

0.004

Measured concentration (g/kg)

0.037

0.012

0.056

0.027

n- octanol solubility (g/L)1)

0.008

2)

0.024

-

1) For the evaluation of the octanol solubility the measured concentration of experiment H (blank) was subtracted from the measured concentrations of the experiments E to G. The results were converted using the density of n-octanol at 20 °C (0.83 g/cm³).

2) Not used for the evaluation of the water solubility because the measured concentration is lower than the concentration of the blank.

 

The n-octanol solubility of the test item was determined to be: c (n-octanol, sat.) = 0.02 g/L

4.4.6. Calculation of the Partition Coefficients log Pow from the Individual Solubilities

The partition coefficient Pow was estimated from the saturation concentrations in n-octanol and water by the following equation:

Pow = c (octanol, sat.) / c (water, sat.)

It was determined to be: log Pow < 0

The water solubility of the test item is very low and therefore near the sensitivity of the method.

Due to the aforementioned reason the stated log Pow is rounded up as conservative approach.

Applicant's summary and conclusion

Conclusions:
Estimations of the n-octanol/water partition coefficient by calculation from the individually determined solubilities results in log Pow < 0.
Executive summary:

The partition coefficient n-octanol/water of the test item at 20 °C was determined by calculation from the individual solubilities in water and in n-octanol (determined by flask method, EU A.6 / OECD TG 105) due to its low solubility in both solvents. This estimation method results in log Pow < 0.