(S)-7-[[2-O-6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From May 19th to May 20th, 2016.

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:

yes (incl. QA statement)

Type of method:

column elution method

Key result

Water solubility:

3.98 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

74 g/L

Incubation duration:

2 h

Temp.:

20 °C

pH:

> 6.33 - < 6.37

Table 1. Results of the preliminary test.

0.01 g in x mL of water	0.05	0.1	0.2	1	10	100	200	1000	>1000
Soluble (+/-)	-	-	-	-	-	-	-	-	+
Approximate solubility, g/L	> 200	200 to 100	100 to 50	50 to 10	10 to 1	1 to 0.1	0.1 to 0.05	0.05 to 0.01	< 0.01

Table 2. Results of test item solubility at 20 ± 0.5ºC in distilled water, column elution with recirculating pump method.

		1	2	3	4	5	Average concentration of Neohesperidin on successive runs, mg/L	Average concentration of Neohesperidin, mg/L
1 run	Concentration of Neohesperidin, mg/L	3.79	3.98	3.88	4.01	3.98	3.93 ± 0.09	3.98 ± 0.07
pH		6.34	6.34	6.35	6.33	6.34
2 run	Concentration of Neohesperidin, mg/L	4.03	4.07	3.99	4.03	4.01	4.03 ± 0.03
pH		6.36	6.34	6.35	6.35	6.37

Conclusions:

The solubility of the test item in water is 3.98 ± 0.07 mg/L, at 20ºC, pH 6.33-6.37

Executive summary:

The study of the water solubility of the test item was performed by the column elution method, according to OECD 105 / EU Method A.6 (GLP study). The test item was dissolved in acetone and added to innert support material. Then, the solvent was evaporated, and the loaded support material was soaked for 2h in 5 ml of water. This suspension was added to a micro-column and the test item was eluted until the concentration reached a plateau. The mass concentration of the eluate at this time was determined by UV-VIS spectrophotometry, and taken as the water solubility value. Based on the test results, the solubility of the test item in water was found to be 3.98 ± 0.07 mg/L, at 20ºC, pH 6.33 - 6.37.

Description of key information

Key study. Column elution method, according to OECD 105 / EU Method A.6, GLP study. The solubility of the test item in water was found to be 3.98 ± 0.07 mg/L, at 20ºC, pH 6.33 - 6.37.

Key value for chemical safety assessment

Water solubility:

3.98 mg/L

at the temperature of:

20 °C

Additional information

The study of the water solubility of the test item was performed by the column elution method, according to OECD 105 / EU Method A.6 (GLP study). The test item was dissolved in acetone and added to innert support material. Then, the solvent was evaporated, and the loaded support material was soaked for 2h in 5 ml of water. This suspension was added to a micro-column and the test item was eluted until the concentration reached a plateau. The mass concentration of the eluate at this time was determined by UV-VIS spectrophotometry, and taken as the water solubility value. Based on the test results, the solubility of the test item in water was found to be 3.98 ± 0.07 mg/L, at 20ºC, pH 6.33 - 6.37.