14,14',15,15'-tetradehydro-7,7'-spirobi[dibenzo[b,g][1,9,4,6]dioxadiazacyclododecine]

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

01 December 2010 – 21 January 2011

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: This study has been performed according to OECD and EC guidelines and according to GLP principles.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

14,14',15,15'-tetradehydro-7,7'-spirobi[dibenzo[b,g][1,9,4,6]dioxadiazacyclododecine]

EC Number:

700-609-8

Cas Number:

1231148-36-9

Molecular formula:

C31H24N4O4

IUPAC Name:

14,14',15,15'-tetradehydro-7,7'-spirobi[dibenzo[b,g][1,9,4,6]dioxadiazacyclododecine]

Details on test material:

- Name of test material (as cited in study report): SX-1
- Molecular formula: C31H24N4O4
- Molecular weight: 516.55
- Substance type: Pale yellow powder
- Physical state: solid
- Analytical purity: 99.7%
- Lot/batch No.: 008809
- Expiration date of the lot/batch: 02 November 2012
- Stability under test conditions: Stable
- Storage condition of test material: At room temperature in the dark

Results and discussion

Water solubility

Water solubility:

< 0.1 mg/L

Temp.:

20 °C

pH:

ca. 8.8

Remarks on result:

other: water solubility of the test substance is < 0.1 mg/l (i.e. based on the LOQ of the analytical method).

Any other information on results incl. tables

Preliminary test

No test substance was observed in the test sample of the preliminary test. It indicated that that the water solubility of the test substance is < 0.1 mg/l (i.e. based on the LOQ of the analytical method).

Main study

With the chemical analysis of the test samples it was found that the water solubility of the test substance is below the limit of quantification (LOQ) of the analytical method since no test substance related response was observed in the samples from the test.

 

To demonstrate proper preparation of the column material, an aliquot of the material was dissolved and analysed. Based on the retention time of the compound it was demonstrated that the column material contained the test substance.

 

The turbidity of the eluates was < 0.1 NTU. According to this, no undissolved particles were detected in the eluates.

 

No test substance was detected in the samples from the blank column.

 

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The column elution method was applied for the determination of the water solubility of SX-1. The water solubility of the test substance at 20°C was < 0.1 mg/l. The pH of the aqueous samples was 8.7 - 8.8.