trisodium 3-[(E)-2-(4-{[4-chloro-6-({2-[(4-{[4-(ethenesulfonyl)phenyl]amino}-6-fluoro-1,3,5-triazin-2-yl)amino]propyl}amino)-1,3,5-triazin-2-yl]amino}-5-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-1,5-disulfonate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

06 July 2006 to 15 August 2006

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

GLP compliance:

yes (incl. QA statement)

Remarks:

RCC Ltd., CH-4452 Itingen, Switzerland

Type of method:

flask method

Remarks:

simplified flask method

Specific details on test material used for the study:

Identity: FAT 40826/A
Batch: TZ 5604 BOP 01/06
Purity: Content of organic part (Na-salt): approx. 78 %
Oligomers: 13 %
Main component: approx. 48 %
Appearance: Solid, orange powder
Expiration date: February 01, 2011
Storage: At room temperature at about 20 °C in a desiccator.

Water solubility:

> 740 g/L

Remarks on result:

other: At room temperature. pH is not stated in the report.

Details on results:

After mixing a total of about 7.6 g of test item in 25 mL water the test item was completely dissolved. The determination of the concentration in the above mentioned test item/water mixture was confirmed by HPLC with respect to a calibration curve and was found to be >264 g/l. Due to results obtained in the first preliminary test a second test was performed. About 5 g of test item were dissolved in a total of 7 mL of water. The test item was completely dissolved by visual judgement. The resulting solution was lacquer-like and could not prepared for HPLC analysis. Therefore, the solubility of FAT 40826/A in water was calculated from the initial weight. A main test using the flask shaking method was not possible as no saturated solution of test item in water can be prepared.

Table 1: Results obtained for the solubility of FAT 40826/A in water in the first preliminary test

 

Initial Weight of Test Item [g]	Water added [ml]	Dilution factor	Measured Concentration [mg/l]	Solubility in water [mg/l]	Mean [mg/l]
7.58	25	4000	65.59	262.37	263.67
7.62	25	4000	66.25	264.98

 

The tabulated values represent rounded results, which were obtained by calculation using the exact raw data

 

Table 2: Results obtained for the solubility of FAT 40826/A in water in the second preliminary test

 

Initial Weight of Test Item [g]	Water added [ml]	Resulting Solution [ml]	Solubility in water [g/i]	Mean [mg/l]
5.22	7	7	>746	>740
5.28	7	7	>750

 

Conclusions:

The water solubility of FAT 40826/A is higher than 740 g/L at room temperature.

Executive summary:

In a GLP-compliant study, the determination of the water solubility of FAT 40826/A was performed according to the EEC Directive 92/69, A.6 "Water Solubility" (1992) and the OECD Guideline No. 105 "Water Solubility" (1995) using a simplified flask method. After mixing a total of about 7.6 g of test item in 25 ml of water the test item was completely dissolved. The determination of the concentration in the above mentioned test item/water mixture was confirmed by HPLC with respect to a calibration curve and was found to be >264 g/l. Due to results obtained in the first preliminary test a second test was performed. About 5 g of test item were dissolved in a total of 7 ml of water. The test item was completely dissolved by visual judgement. The resulting solution was lacquer-like and could not prepared for HPLC analysis. Therefore, the solubility of FAT 40826/A in water was calculated from the initial weight. A main test using the flask shaking method was not possible as no saturated solution of test item in water can be prepared. The r2 fit was 0.9996 (optimum 1.0000). This reflects the linearity of the HPLC-system within the calibration range of 1.59 mg/l to 127.2 mg/l of the test item. Due to the results in the second preliminary test, the water solubility of FAT 40826/A was found to be >740 g/l at room temperature.

Description of key information

The water solubility of the test substance is higher than 740 g/L at room temperature.

Key value for chemical safety assessment

Water solubility:

740 g/L

at the temperature of:

20 °C

Additional information

In a GLP-compliant study, the determination of the water solubility of FAT 40826/A was performed according to the EEC Directive 92/69, A.6 "Water Solubility" (1992) and the OECD Guideline No. 105 "Water Solubility" (1995) using a simplified flask method. After mixing a total of about 7.6 g of test item in 25 ml of water the test item was completely dissolved. The determination of the concentration in the above mentioned test item/water mixture was confirmed by HPLC with respect to a calibration curve and was found to be >264 g/l. Due to results obtained in the first preliminary test a second test was performed. About 5 g of test item were dissolved in a total of 7 ml of water. The test item was completely dissolved by visual judgement. The resulting solution was lacquer-like and could not prepared for HPLC analysis. Therefore, the solubility of FAT 40826/A in water was calculated from the initial weight. A main test using the flask shaking method was not possible as no saturated solution of test item in water can be prepared. The r2 fit was 0.9996 (optimum 1.0000). This reflects the linearity of the HPLC-system within the calibration range of 1.59 mg/l to 127.2 mg/l of the test item. Due to the results in the second preliminary test, the water solubility of FAT 40826/A was found to be >740 g/l at room temperature.