Potassium N-(1-methoxy-1-oxobut-2-en-3-yl)valinate

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29 October 1996 - 12 February 1997

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: EC Directive 92/69 Annex V mrthod A.8 OECD Guideline 107 (1995)

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1997

Report date:

1997

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Test guideline 2

Qualifier:

according to guideline

Guideline:

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

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Reference

Name:

Unnamed

Type:

Constituent

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

ca. -2.23

Temp.:

20 °C

pH:

>= 6.96 - <= 7.01

Any other information on results incl. tables

Results of determined “D--DANE” concentrations in the octal-1-ol phase and water phase after the shaking area are listed in table 5 (first run) and in Table 6 (second run). Results of determined pH values in the buffer phase after the test are listed in Table 7. Results of calculated log Pow values (first run, second run and mean) are listed in Table 8.

 

Table 5: Determined concentration of “D--DANE” in the octal-1-ol phase and in buffer phase of the first run.

Ratio n-octanol : water	Concentration of “D--DANE” (mg/ml) in the n-octanol phase	Concentration of “D--DANE” (mg/ml) in the water phase (buffer pH 6.8)	Amount of “D--DANE” in both phases (% of used amount)
1:1	0.006348	1.043	97.1
2:1	0.005763	1.542	104.3
1:2	0.009381	1.325	103.0

 

Table 6: Determined concentrations of “D--DANE” in the octal-1-ol phase and in the water phase of the second run.

Ratio n-octanol : buffer	Concentration of “D--DANE” (mg/ml) in the n-octanol phase	Concentration of “D--DANE” (mg/ml) in the water phase (buffer pH 6.8)	Amount of “D--DANE” in both phases (% of used amount)
1:1	0.007276	1.187	110.5
2:1	0.006805	1.402	95.0
1:2	0.01162	1.309	102.0

 

Table 7: Determined pH values of the water phases after shaking.

Ratio octal-1-ol : buffer	1^st run	2^nd run
1:1	6.96	6.96
2:1	7.01	7.00
1:2	6.98	6.98

 

Table 8: Calculated log Pow value of the first and second run and the mean.

Ratio n-octanol : buffer	1^st run	2^nd run	mean
1:1	-2.22	-2.21	-2.21
2:1	-2.43	-2.31	-2.37
1:2	-2.15	-2.05	2.10
		mean	2.23
		SD	0.14

 

The mean n-octanol/water partition of “D--DANE” was calculated to be:

Pow=0.00613

Log Pow=-2.23+/-0.14

 

Applicant's summary and conclusion

Conclusions:

Log Pow is -2.23, estimated by flask shaking method at 20°C