lithium 3-((3,4-dicyanophenyl)sulfonyl)propane-1-sulfonate)

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

study start 8-05-2012 experimental ended 10-08-2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2012

Report date:

2012

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

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

GLP compliance:

yes

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

lithium 3-((3,4-dicyanophenyl)sulfonyl)propane-1-sulfonate)

EC Number:

700-777-2

Cas Number:

667889-11-4

Molecular formula:

C11H9N2O5S2Li

IUPAC Name:

lithium 3-((3,4-dicyanophenyl)sulfonyl)propane-1-sulfonate)

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

> -3.09

Temp.:

25 °C

pH:

ca. 7

Details on results:

The stability of Stock Solutions 1, 2, and 3 from which the test solutions were prepared was checked alongside the sample analysis. These solutions were analysed at the end of the partition coefficient test experimental work and the concentration of the test substance present was
determined. These values were then compared with the theoretical concentrations of the solutions. A value of 3038mg/l was determined for Stock Solution 1. Comparison of this value with the theoretical concentration of the solution (3014mg/l) indicates a 100.8% recovery.A value of 1536mg/l was determined for Stock Solution 2. Comparison of this value with the theoretical concentration of the solution (1507mg/l) indicates a 101.9% recovery.
A value of 754mg/l was determined for Stock Solution 3. Comparison of this value with the theoretical concentration of the solution (753.5mg/1) indicates a 100.1% recovery.These values were deemed to show that there has been no significant degradation of the stock solutions in terms of concentration over the test period and therefore the solutions used in the test were considered to have been stable for the duration of the test.
Note that water and octanol/methanol blanks gave no interferences at or around the retention time of the analyte peaks and specificity in water and octanol/methanol for partition coefficient testing was deemed acceptable.The pH of the water layers and the presaturated water blank was measured on completion of the partition coefficient shake flask test period, using a Sirius GLpH automatic pH meter which was calibrated prior to measurements being performed.

Any other information on results incl. tables

Table of individual results. see below:-

Applicant's summary and conclusion

Conclusions:

The partition coefficient of the test material has been determined to be 8.1 0x l0-4 at 25°C +/- 1°C.
The log10 Pow = - 3.09

Executive summary:

Introduction:

The study has been conducted according to 92/69/EEC, EC method A8 (shake-flask method)

Results and Conclusions

The partition coefficient of the test material has been determined to be 8.10x l0-4 at 25°C +/- 1°C. The log10 Pow = - 3.09