Disodium 2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanthen-9-yl)benzoate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Data is from experimental report

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

GLP compliance:

no

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

-1.163

Temp.:

25 °C

Remarks on result:

other: Test chemical is hydrophillic in nature

Observation table:

WATER PHASE
Assay	Ratio (n-octanol/water)	V(ml)	Concentration (mg/l) of test item		Mean concentration mg/l	Dilution factor
			R1	R2
Assay-1	1/2	40	300.554	299.749	300.151	10
Assay-2	1/1	30	205.265	208.248	206.756	10
Assay-3	2/1	20	276.391	276.093	276.242	10

OCTANOL PHASE
Assay	Ratio (n-octanol/water)	V(ml)	Concentration (mg/l) of test item		Mean concentration mg/l	Dilution factor
			R1	R2
Assay-1	1/2	20	27.824	27.782	27.803	10
Assay-2	1/1	30	7.169	7.304	7.236	10
Assay-3	2/1	40	28.675	28.672	28.673	10

Assay	Ratio (n-octanol/water)	Cn-octanol/ Cwater	Pow	Log Pow	Mean of Log Pow
Assay-1	1/2	278.03/3001.51	0.092	-1.036	-1.163±0.264
Assay-2	1/1	72.36/2067.56	0.034	-1.468
Assay-3	2/1	286.73/2762.42	0.103	-0.987

Conclusions:

The partition coefficient of test chemical was determined as per the shake flask method (OECD Guideline-107). The log Pow value was determined to be -1.163±0.264 at 25 °C.

Executive summary:

The partition coefficient (Pow) of test chemical at 25°C was determined according to the OECD Guideline No. 107, ”Shake Flask Method”. In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated from the measured concentration of test chemical in the organic and aqueous phases. The log Pow value was determined to be -1.163 ± 0.264 at 25°C. On the basis of log Pow value, it can be concluded that the test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.

Description of key information

The partition coefficient (Pow) of test chemical at 25°C was determined according to the OECD Guideline No. 107, ”Shake Flask Method”. In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated from the measured concentration of test chemical in the organic and aqueous phases. The log Pow value was determined to be -1.163 ± 0.264 at 25°C. On the basis of log Pow value, it can be concluded that the test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.

Key value for chemical safety assessment

Log Kow (Log Pow):

-1.163

at the temperature of:

25 °C

Additional information

Based on the key study from study report, the partition coefficient (Pow) of test chemical at 25°C was determined according to the OECD Guideline No. 107, ”Shake Flask Method”. In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated from the measured concentration of test chemical in the organic and aqueous phases. The log Pow value was determined to be -1.163 ± 0.264 at 25°C. On the basis of log Pow value, it can be concluded that the test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.

Based on the data obtained from the authoritative database, the partition coefficient log Pow value of the test chemical was determined to be -0.05.

On the basis of data obtained from the secondary source, the partition coefficient i.e. log Pow value of the test chemical was determined to be -0.29.

Thus, based on the available information, the log Pow value of the test chemical was determined to be ranges from -0.05 to -1.163. On the basis of this value, test chemical can be considered to be hydrophilic in nature.