Reaction mass of Fatty acids, montan-wax and Glycerides, montan-wax and Montan wax

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

28 March to 03 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 (wich 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

Test material information

Constituent 1

Reference substance name:

Montan waxes, type WE 4

IUPAC Name:

Montan waxes, type WE 4

Details on test material:

Test item: Licolub WE 4 FL

Study design

Analytical method:

other: Gravimetry

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

< 1

Temp.:

20 °C

pH:

>= 5.5 - <= 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 6.6 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 4.8 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)	51.5	51.8	50.5	-
Stirring time at 30 °C (h)	24	48	72	72
pH at 23 °C	5.5	5.5	5.8	5.5
Weight residue in flask (g)	0.005	0.007	0.008	0.007
Measured concentration (g/kg)	0.030	0.036	0.042	0.038
Water solubility (g/L)^1)	- 2)	- 2)	0.004	-

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).

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

 

The water solubility of the test item was determined to be: c (water, sat.) = 0.004 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)	50.3	51.0	50.4	-
Stirring time at 30 °C (h)	24	48	72	72
Weight residue in flask (g)	0.005	0.006	0.005	0.003
Measured concentration (g/kg)	0.032	0.037	0.036	0.019
n- octanol solubility (g/L)^1)	0.011	0.015	0.015	-

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).

 

The n-octanol solubility of the test item was determined to be: c (n-octanol, sat.) = 0.01 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 < 1

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:

Estimation of the n-octanol/water partition coefficient by calculation from the individually determined solubilities results in log Pow < 1.

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 < 1.