Dinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione, (9,10-dihydro-9,10-dioxo-1-anthracenyl)amino derivs.

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental starting date: 13 April, 2015; Experimental completion date: 17 April, 2015; Study completion date: 20 April, 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Specific details on test material used for the study:

- Identity: FAT 45082/I TE
- Lot: JL1101V5C
- Appearance: Black powder

Key result

Water solubility:

< 1 µg/L

Conc. based on:

test mat.

Temp.:

20 °C

Remarks on result:

other: pH is not specified

Preliminary Visual Estimation of the Water Solubility:

Table 1: Appearance of the test mixtures in the preliminary test

Amount of the test item in mg	Total volume in mL	Appearance of mixture
1	100	Undissolved
	1000	Undissolved

 

The preliminary visual experiments showed that the water solubility of the test item is very low (< 1 mg/L).

Flask-Method:

Table 2: Water solubility of the test item – experiments A to D

Experiment	A	B	C	D(blank)
Amount of test item (mg)	500	500	500	--
Stirring time at 30°C (h)	24	48	72	72
Measured concentration (ng/mL)	n.d.	n.d.	n.d.	n.d.
Water solubility (μg/L)	< 1	< 1	< 1	n.d.

 

Average experiments A to C: < 1 μg/L

Standard addition for recheck :

Standard	Measured concentration (ng/ml)	% Recovery
Sample C + 10 ng test item	10.4	104

 

The recovery of 104 % indicates a sufficient accuracy of the analytical method.

Conclusions:

The water solubility of FAT 45082/I at a temperature of 20 °C was determined to be <1 μg/L (without correction for the purity).

Executive summary:

The water solubility of FAT 45082/I was evaluated in a study conducted according to OECD Guideline 105 and EU Method A.6. The preliminary visual experiments showed that the water solubility of the test item is very low (< 1 mg/L). Flask method was used for the main test. Three flasks were prepared with about 500 mg test item and 5 mL water. The batches were stirred for different times at 30 °C (experiment A for 24 h, experiment B for 48 h, experiment C for 72 h) in tightly closed flasks. After equilibration (further stirring for 24h at 20 °C) a saturated solution with a precipitate of the test item could be observed. Aliquots were taken and centrifuged (30 minutes with 5000 rpm at 20 °C). Subsequently, the solution was filtered over 0.20 μm microfilters. The solution is clear and colorless, and undiluted analysed by LC/MS. The concentration of the test item was determined by HPLC/MS-IT/TOF. Another experiment was performed according to this procedure but without test item (“blank”). The average for water solubility obtained over three experiments A to C, was <1 μg/L. The recovery of 104 % indicated a sufficient accuracy of the analytical method. Hence, based on the findings of the study, the water solubility of FAT 45082/I at a temperature of 20 °C was determined to be <1 μg/L (without correction for the purity).

Description of key information

The water solubility of FAT 45082/I at 20 °C was determined to be <1 μg/L.

Key value for chemical safety assessment

Water solubility:

1 µg/L

at the temperature of:

20 °C

Additional information

The water solubility of FAT 45082/I was evaluated in a study conducted according to OECD Guideline 105 and EU Method A.6. The preliminary visual experiments showed that the water solubility of the test item is very low (< 1 mg/L). Flask method was used for the main test. Three flasks were prepared with about 500 mg test item and 5 mL water. The batches were stirred for different times at 30 °C (experiment A for 24 h, experiment B for 48 h, experiment C for 72h) in tightly closed flasks. After equilibration (further stirring for 24 h at 20 °C) a saturated solution with a precipitate of the test item could be observed. Aliquots were taken and centrifuged (30 minutes with 5000 rpm at 20 °C). Subsequently, the solution was filtered over 0.20 μm microfilters. The solution is clear and colorless, and undiluted analysed by LC/MS. The concentration of the test item was determined by HPLC/MS-IT/TOF. Another experiment was performed according to this procedure but without test item (“blank”). The average for water solubility obtained over three experiments A to C, was < 1 μg/L. The recovery of 104 % indicated a sufficient accuracy of the analytical method. Hence, based on the findings of the study, the water solubility of FAT 45082/I at a temperature of 20 °C was determined to be <1 μg/L (without correction for the purity).