4-(4-isopropoxyphenylsulfonyl)phenol

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1988-07-04 to 1988-12-24

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

GLP compliance:

not specified

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

3.36

Temp.:

25 °C

pH:

5

Details on results:

Calculation of Partition Coefficient:
From the HPLC analysis data, the Pow of D-8 was calculated as follows:
Oow = Co/Cw
Co or Cw : Cs x Au x Vs x F/As x Vu
where:
Co : Concentration in o-octanol phase (ppm)
Cw : Concentration in water phase (ppm)
Cs : Concentration of standard solution (mg/L)
Au : Mean of integral peak area of sample
Vs : Injected volume of standard solution (µL)
As : Mean of integral peak area of standard
Vu : Injected volume of sample solution
F : Concentration/dilution factor

Results:

The saturation time of 40 min was sufficient judged from a preliminary test. The results are summerize in the table.

The log Pow was 3.36 ± 0.067 and independent upon the ratio of volumes of n-octanol and water.

Conclusions:

The n-octanol/water partition coefficient of D-8 was determined by the flask shake method according to OECD guideline 107. The log Pow for D-8 was 3.36 ± 0.067 at 25 °C.

Executive summary:

The n-octanol/water partition coefficient of D-8 was determined by the flask shake method according to OECD guideline 107. In a glass bottle, n-octanol saturated with water and water saturated with n-octanol were mixed at ratios of 50:50, 50:25 and 33:66 mL. About 30 mg of D-8 was added into each bottle. They were tightly capped and vibrated in an ultrasonic bath for 10 min. After vibration, they were shaken with 120 - 180 frequencies/min by a mechanical shaker for 40 min at 23 -25 °C. The mixture in the bottle was transferred into a centrifugal tube and centrifugated for 20 min by 12,000 rpm at 25 °C. After centrifugation 1 mL of n-octanol solution was gently pipetted from the upper layer of the tube into a 100 mL volumetric flask and diluted to the mark with acetonitrile. The aqueous solution was also gently collected from the center of the water layer by using a stomach tube equipped with a syringe.

The content of D-8 was determined with HPLC by injection of 10 µL of octanol and 20 µL of water layers. The log Pow for D-8 was determined to be 3.36 ± 0.067 at 25 °C.

Description of key information

The log Pow for D-8 was 3.36 ± 0.067 at 25 °C, according to OECD Guideline 107.

Key value for chemical safety assessment

Log Kow (Log Pow):

3.36

at the temperature of:

25 °C

Additional information

The n-octanol/water partition coefficient of D-8 was determined by the flask shake method according to OECD Guideline 107. The log Pow for D-8 was 3.36 ± 0.067 at 25 °C.