(4R)-2-oxo-1,3-oxazolidine-4-carboxylic acid

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

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

< -3

Temp.:

20 °C

pH:

4.7

Key result

Type:

log Pow

Partition coefficient:

< -3

Temp.:

20 °C

pH:

6.8

Key result

Type:

log Pow

Partition coefficient:

< -3

Temp.:

20 °C

pH:

9

Table 1: Analysed concentrations, aqueous phase pH and resulting test item weights – pH 5

Sample number	Total weight (mg)	Organic phase		Aqueous phase			Mass recovery (%)
		Analysed concentration (mg/L)	Weight (mg)	Analysed concentration (mg/L)	Weight (mg)	pH
1	27.6	<1.0	<0.054	996	26.9	4.7	97.5
2	27.6	<1.0	<0.054	1010	27.3	4.7	99.1
3	40.9	<1.0	<0.04	1020	40.7	4.7	99.5
4	40.9	<1.0	<0.04	1010	40.6	4.7	99.2
5	55.2	<1.0	<0.027	1020	55.0	4.7	99.7
6	55.2	<1.0	<0.027	1020	55.2	4.7	100.0

 

Table 2: Analysed concentrations, aqueous phase pH and resulting test item weights – pH 7

Sample number	Total weight (mg)	Organic phase		Aqueous phase			Mass recovery (%)
		Analysed concentration (mg/L)	Weight (mg)	Analysed concentration (mg/L)	Weight (mg)	pH
1	26.7	<1.0	<0.054	996	26.9	6.8	100.7
2	26.7	<1.0	<0.054	995	26.9	6.8	100.6
3	39.6	<1.0	<0.04	1000	40.1	6.8	101.3
4	39.6	<1.0	<0.04	994	39.8	6.8	100.4
5	53.5	<1.0	<0.027	993	53.6	6.8	100.3
6	53.5	<1.0	<0.027	991	53.5	6.8	100.1

 

Table 3: Analysed concentrations, aqueous phase pH and resulting test item weights – pH 9

Sample number	Total weight (mg)	Organic phase		Aqueous phase			Mass recovery (%)
		Analysed concentration (mg/L)	Weight (mg)	Analysed concentration (mg/L)	Weight (mg)	pH
1	26.8	<1.0	<0.054	997	26.9	9.0	100.7
2	26.8	<1.0	<0.054	1000	27.0	9.0	101.0
3	39.7	<1.0	<0.04	999	40.0	9.0	100.7
4	39.7	<1.0	<0.04	994	39.8	9.0	100.3
5	53.6	<1.0	<0.027	995	53.7	9.0	100.2
6	53.6	<1.0	<0.027	1000	54.0	9.0	100.7

 

Conclusions:

A log Kow <-3.0 was determined for the test substance under relevant environmental pH conditions (pH value ranging from 5 to 9) at a test temperature of 20 °C using the shake flask method.

Executive summary:

The octanol-water partition coefficient of the substance was determined under GLP in accordance with OECD TG 107, by using the shake flask method. For the determinations at specified pH conditions, individual buffer solutions were prepared and mutually saturated with n-octanol. Stock solutions of the test substance in the buffers were produced by diluting aliquots of 0.2549 g (pH 5), 0.2507 g (pH 7) and 0.2510 g (pH 9) in 250 mL of n-octanol saturated buffer solution. These were used as the aqueous phase in the test. The organic phase for the specific pH determinations was the relevant buffer solution saturated n-octanol. For each test conditions, six partitions were tested according to the following setup at a test temperature varying from 20 to 20.4 °C.

In each test, the combined volume of both phases occupied not less than 90% of the total volume of the test vessel. The organic and aqueous phases were equilibrated to the test temperature for a minimum of one hour before partitioning, which was performed by inversion of the flasks through approximately 180 °C over a five minute period. The test temperature was measured and confirmed at the time of partitioning and the flasks then returned to the 20 °C conditions to allow initial phase separation prior to decanting the individual phases for centrifugation. Individual aliquots of each phase from each vessel were taken and phase separation ensured by centrifugation at at leas 13000 rpm for 15 minutes. Aliquots of both phases from each vessel and each stock solution were taken for analysis by HPLC. The analysis of the organic phase sample solutions showed that the concentration of test substance was below the limit of quantification of the applied method (0.5 mg/L). A limit value of <1.0 mg/L in the organic phase was used in the calculation of Kow values (corrected for the dilution factor of 2). The Kow value at all tested pH values was <0.001. The resulting log Kow was thus <-3.0 at pH 5, 7 and 9 at a temperature of 20 °C.

Description of key information

log Kow <-3.0 at pH 5, 7, 9 and 20 °C (GLP, OECD TG 107, shake flask method)