4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxo-4,5-dihydro-1H-tetrazole-1-carboxamide

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

February 22, 1995 - May 6,1996

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)

GLP compliance:

yes

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

3.6

Temp.:

20 °C

Remarks on result:

other: pH is not mesured

Preliminary test

In a preliminary test the partition coefficient was determined to be 10 000 (H.-P.Stupp, Bayer AG, Nov. 11, 1993), log Pow = 4.0.

Partition coefficient - Summary of results

From the concentrations measured considering the dilution factor of the octanol phase the partition coefficients as the ratio of the concentrations found for octanol and for water was calculated for each run. All results were included to calculate common mean and relative standard deviation summarized at the bottom of the table below. Furthermore, the quantities of the test substance recovered by the analytical measurements were determined from the concentrations and the phase volumes. The results presented also in the table show that the recoveries are in accordance with the quantities used. It was also ascertained that the maximum concentration of test substance in either phase was in no case beyond the limit of 10~2 Mole/L given in the OECD Guidelines as the maximum concentration of the test substance. (The maximum concentration was measured in the octanol phase of run No. 4 where the molar concentrations was approx. 1 x 10-2 Mole/L).

Summary of results

Run No.	Quantity used [mg]	Volume of octanol [ml]	Volume of water [ml]	Concentration in octanol of YRC 2388 [mg/L]	Concentration in water of YRC 2388 [mg/L]	Quantity recovered of YRC 2388 [mg]	Partition Coefficient
No.1	347.6	100	100	3466	0.869	346.7	3988
No.2	173.7	100	100	1764	0.442	176.4	3991
No.3	86.9	100	100	908	0.232	90.8	3914
No.4	69.6	20	180	3539	0.873	70.8	4054
No.5	69.6	40	160	1744	0.451	69.8	3867
No.6	69.6	80	120	906	0.228	72.5	3974
mean (n= 6)							3965
relative standard deviation							1.64%

Conclusion

The partition coefficients of test item in octanol-water was determined at 20 °C by the "shaking method" according to OECD-Guidelines No; 107 (corresponding to EEC Guidelines A8) to be 4000

(log Pow = 3.60).

Description of key information

Log Pow = 3.6 at 20 °C (OECD Guideline 107, flask method)

Key value for chemical safety assessment

Log Kow (Log Pow):

3.6

at the temperature of:

20 °C