Octadecanoic acid, reaction products with diethylenetriamine and urea, acetates

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2013

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)

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

GLP compliance:

no

Type of method:

flask method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Identification: FAT 93580/A Lot: 0022357000
Appearance: Light yellow waxy solid

Analytical method:

photometric method

Type:

log Pow

Partition coefficient:

> 6.2

Temp.:

20 °C

Remarks on result:

other: pH not specified

Details on results:

By means of the flask method, the saturation concentration of the test item in n-octanol was determined to: 159.3 g/l.

By means of the flask method, the saturation concentration of the test item in water was determined to: <0.1 mg/l

Preliminary Visual Estimation of the n-octanol solubility

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

Amount of test item in mg	Volume in ml	Total volume in ml	Stirring time	Appearance of mixture
2.0	3	5	35 min	undissolved
2.0	4	6	35 min	undissolved
2.0	6	8	35 min	undissolved
1.05	6	7.05	35 min	dissolved

According to this preliminary test the solubility of the test item in n-octanol is above 150 g/l (without correction of the purity).

Calculation of the partition coefficient log Pow from the preliminary tests.

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

Pow = cs octanol /cs water

s= saturation

With the data obtained from the experiments (cs > 150 g/l) and in the preliminary test (water solubility: cs < 0.1 mg/l) the partition coefficient was calculated as log POW over 6.2

Due to the fact, that the log POW is above 5, the partition coefficient n-octanol/water has to be estimated from the individual solubilities in water and n-octanol.

Determination of the solubility in the n-octanol phase: Flask Method.

Solubility of the test item-experiment A to D:

Experiment	A	B	C	D (Blank)
Amount of test item in mg	4.3	4.5	4.5	-
Equilibration time at 20°C (h)	24	48	72	72
Aliquot of the flask (ml)/End volume	10/10	10/10	10/10	10/10
N-content test solution	10.11 mg/ml 10.25 mg/ml	10.55 mg/ml 10.69 mg/ml	10.4 mg/ml 10.15 mg/ml	-
Test item concentration in Aliquot (g/10ml)	1.566	1.633	1.581	-
Solubility (g/L)	156.6	163.3	158.1

Conclusions:

The partition coefficient n-octanol/water of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to log Pow > 6.2.

Executive summary:

The partition coefficient n-octanol/water of FAT 93580/A TE was determined in a study conducted according to EU Method A.8 and OECD Guidelines 107 and 117. Shake flask method was used for the main study.

Based on the individual solubility of test item in n-octanol and water, The partition coefficient n-octanol/water of the test item at 20°C, from the individual solubility in water and n-octanol, was determined to log Pow > 6.2.

Description of key information

The partition coefficient n-octanol/water of FAT 93580/A TE was determined in a study conducted according to EU Method A.8 and OECD Guidelines 107. Shake flask method was used for the main study.

Based on the individual solubility of test item in n-octanol and water, The partition coefficient n-octanol/water of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to log Pow > 6.2.

Key value for chemical safety assessment

Log Kow (Log Pow):

6.2

at the temperature of:

20 °C