Propan-2-yl N-[(S)-(pentafluorophenoxy)(phenoxy) phosphoryl]-L-alaninate

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

01 November 2012-17 January 2013

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Propan-2-yl N-[(S)-(pentafluorophenoxy)(phenoxy)-phosphoryl]-L-alanine

EC Number:

695-076-0

Cas Number:

1334513-02-8

Molecular formula:

C18H17F5NO5P

IUPAC Name:

Propan-2-yl N-[(S)-(pentafluorophenoxy)(phenoxy)-phosphoryl]-L-alanine

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Details on test material:

- Name of test material (as cited in study report): GS-606962
- Substance type: organic
- Physical state: white powder
- Lot/batch No.: PSI-172(2)-1-1-12001
- Storage condition of test material: room temperature in the dark

Results and discussion

Water solubility

Water solubility:

0.332 mg/L

Temp.:

20 °C

pH:

ca. 6

Remarks on result:

other: Water solubility determined as mean concentration of 3 sample solutions. Test temeperature: 20.0±0.5°C

Any other information on results incl. tables

Preliminary test

The preliminary estimate water solubility was 3.55 x 10^-4g/L at room temperature.

Definitive test

The concentration (g/L) of the test item in the sample solutions is shown in the following table:

Table 2

Sample Number	Time Shaken at ~ 30°C (hours)	Time Equilibrated at 20°C (hours)	Concentration (g/L)	Solution pH
1	24	24	3.22 x 10^-4	6.37
2	48	24	3.74x10^-4	6.19
3	72	24	3.22 x 10^-4	5.99

Mean concentration: 3.32 x 10^-4g/L at 20.0±0.5°C

Range: 3.00 x 10 ^-4 to 3.74 x 10^-4g/L

Validation The linearity of the detector response with respect to concentration was assessed over the concentration range of 0.116 to 1.16 mg/L. This was satisfactory with correlation coefficient of 1.000 being obtained. Discussion On completion of the equilibration period, the samples were clear and colorless with excess test item present in the test vessels. The solutions were filtered to remove excess test item. After filtration the supernatant was visually observed to be clear and colorless and free from undissolved test item. The preliminary water solubility test indicated that the column elution method should have been performed as the solubility was less than 1x10^-2 g/L. However, there was some concern that the test item may not be stable over the extended duration required for the column elution method compared to the flask method; therefore the flask method was used. The result showed good consistency therefore this has been considered not to effect the validity of the result. All individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guideline for the flask method.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of the test item has been determined to be 3.32x10-4 g/L (0.332 mg/L) of solution at 20.0±0.5°C.

Executive summary:

Water solubility

3.32 x 10^-4 g/L of solution at 20.0±0.5°C, using the flask method, designed to be compatible with Method A.6 (Water solubility) of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.