1,2-benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt

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)

Principles of method if other than guideline:

To determine partition coefficient of test chemical by using 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:

-2.227

Temp.:

25 °C

Remarks on result:

other: other details not available

Table 1:

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	40.373	44.802	42.587	10
Assay-2	1/1	30	217.070	217.596	217.333	10
Assay-3	2/1	20	84.388	84.550	84.469	10

Table 2

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	0.522	0.534	0.528	10
Assay-2	1/1	30	1.662	1.705	1.684	10
Assay-3	2/1	40	0.176	0.190	0.183	10

Table 3

Assay	Ratio (n-octanol/water)	Cn-octanol/ Cwater	Pow	Log Pow	Mean of Log Pow
Assay-1	1/2	0.528/42.587	0.012	-1.907	-2.227± 0.391
Assay-2	1/1	1.684/217.333	0.008	-2.111
Assay-3	2/1	0.183/84.469	0.002	-2.664

Conclusions:

The partition coefficient of test substance was determined as per the shake flask method (OECD Guideline-107). The log Pow value was determined to be -2.227 ± 0.391 at 25 0C temperature.

Executive summary:

The Partition coefficient (Pow) of test chemical at 25°C was estimated 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 -2.227± 0.391at 25⁰C temperature.

By considering this log Pow value it can be concluded that 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 of test substance was determined as per the shake flask method (OECD Guideline-107). The log Pow value was  determined  to be -2.227 ± 0.391 at 25 oC temperature.

Key value for chemical safety assessment

Log Kow (Log Pow):

-2.227

at the temperature of:

25 °C

Additional information

The Partition coefficient (Pow) of test chemical at 25°C was estimated 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 -2.227± 0.391at 25⁰C temperature.

By considering this log Pow value it can be concluded that test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.