Reaction mass of Cobaltate(3-), bis[2-[[[3-[2-[1-[[(2-chlorophenyl)amino]carbonyl]-2-(oxo-κO)propyl]diazenyl-κN1]-4-(hydroxy-κO)phenyl]sulfonyl]amino]benzoato(3-)]-, sodium (1:3) and tetrasodium bis[2-[[[3-[[1-[(2-chloroanilino)carbonyl]-2-oxopropyl]azo]-4-hydroxyphenyl]sulphonyl]amino]benzoato(3-)]cobaltate(4-)

Partition coefficient

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:

Identification: FAT 92368/Y
Appearance: Yellow powder

Analytical method:

other: The concentration were quantified with absorbance vs concentration using UV/Vis Spectormeter

Key result

Type:

Pow

Partition coefficient:

17.41

Temp.:

20 °C

Remarks on result:

other: pH unknown

Key result

Type:

log Pow

Partition coefficient:

1.24

Temp.:

20 °C

Remarks on result:

other: pH unknown

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
100	0.10	0.10	60 min	Undissolved
	0.50	0.50	60 min	Undissolved
	1.00	1.00	60 min	Dissolved
	1.50	1.50	60 min	Dissolved

According to this preliminary test the solubility of the test item in n-octanol is about 100 mg/ml (without correction of the purity).

 

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 = c_soctanol /cs water

s= saturation

 

With the data obtained from the experiments in chapter 3.5.1 (c_s= 100 g/l) and in the preliminary test (water solubility: c_s= 182 g/l) the partition coefficient was calculated as log POW -0.3.

 

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

Experiment	A	B	C	D(blank)
Amount of test item (mg)	1000	1000	1000	--
Stirring time at 30 °C (h)	24	48	72	72
Aliquot of the flasks (ml)	0.01/10/1	0.01/10/1	0.01/10/1	0.01/10/1
End volume (ml)	10	10	10	10
Measured concentration (μg/ml)	10.9	9.8	9.3	--
Solubility (g/l)	109	98	93	--

The values of the measured concentrations of the test item in n-octanol is 100 g/l.

Standard	Measured concentration (μg/ml)	% Recovery
Standard 2 (c= 30.60 μg/ml)	30.65	100.2 %
Standard 3 (c= 15.30 μg/ml)	15.36	100.4 %
Standard 4 (c= 7.65 μg/ml)	7.62	99.6 %

Recovery range from 99.6 % to 100.4 % indicates a sufficient accuracy of the analytical method.

 

Shake flask method:

A stock solution of the test item was prepared in n-octanol (pre-saturated with water):

12.5 mg/100 ml. Three different experiments (double determination) was started with following ratios of octanol/water: A (1:1); B (1:2); C (2:1).

After phase separation by centrifugation, the total concentration of the test substance was determined by VIS-spectroscopy (435 nm) at 20 °C in each phase.

 

Experiment	A Ratio 1:1	B Ration 1:2	C Ratio 2:1
Stock solution in mg/100 mL	12.5	12.5	12.5
Stock solution in mL	4	4	8
Flask concentration in μg	500	500	500
Water volume in ml	4	8	4
Measured concentration n-octanol phase (μg)	458.2	451.6	837.4
Measured concentration water phase (μg)	23.8	25.4	55.1
Pow	19.25	17.78	15.20
Log Pow	1.28	1.25	1.18

Conclusions:

The partition coefficient n-octanol/water of the test item at 20 °C was determined to be 1.24 (log Pow).

Executive summary:

The partition coefficent n-octanol/water of the test item ( FAT 92368/Y) at 20 °C was determined according to flask method speficied in OECD test guideline 107. Based on the individual solubility of test item in n-octanol and water, the n-octanol/water partition coefficient was determined to be 1.24 (log Pow).

Description of key information

The partition coefficent n-octanol/water of the test item ( FAT 92368/Y) at 20 °C was determined according to flask method speficied in OECD test guideline 107. Based on the individual solubility of test item in n-octanol and water, the n-octanol/water partition coefficient was determined to be 1.24 (log Pow).

Key value for chemical safety assessment

Log Kow (Log Pow):

1.24

at the temperature of:

20 °C