3-hydroxy-p-anisaldehyde

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 June 9th to October 7th, 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:

flask method

Key result

Water solubility:

2.27 g/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

20 °C

pH:

>= 5.85 - <= 5.87

Details on results:

Solubility of the test item in distilled water is 0.019 ± 0.005 mg/L at pH = 6.04 - 6.08.

Table 1. Results of the preliminary test

0.1 g in x mL of water	0.1	0.5	1	2	10	100
Soluble (+/-)	-	-	-	-	-	+
Approximate solubility, g/L	> 1000	1000 to 200	200 to 100	100 to 50	50 to 10	10 to 1

Table 2. Calibration solution.

Day	Weight (mg)	Dilution (mL)	Cw (mg/mL)	Peak area		Average peak area Aw	f	Average f
1	16.4	25-1-25-1-10-2-5	0.00104	329530	329074	329302.0	0.000032	0.000032
		25-1-25-1-10	0.00261	805247	808452	806849.5	0.000032
2	16.4	25-1-25-1-10-2-5	0.00104	321395	323271	322333.0	0.000032	0.000032
		25-1-25-1-10-2-5	0.00052	163492	163777	163634.5	0.000032
3	16.4	25-1-25-1-10-2-5	0.00104	322821	322423	322622.0	0.000032	0.000032
		25-1-25-1-10	0.00052	166660	167401	167030.5	0.000031

Table 3. Study solution in water.

Sample day /flask		Weight (mg)	Dilution (mL)	Cp (mg/mL)	Peak area		Average peak area Ap	X (g/kg)
1	1	100.9	25-1-10	0.4036	289107	287052	288079.5	2.30
	2	100.9		0.4036	297654	301079	299366.5	2.39
2	3	101.35	25-1-10	0.4054	280937	282555	281746	2.25
	4	99.9		0.3996	300353	296649	298501	2.41
3	5	103.8	25-1-10	0.4152	276758	277552	277155	2.13
	6	102.3		0.4092	275598	275211	275404.5	2.15

Table 4. Results of test item solubility in water.

Mixing time at 30ºC (days, flasks)	1		2		3
Samples	1	2	3	4	5	6
Temperature, ºC	20.2		20.0		20.0
pH	5.85		5.87		5.87
Concentration of Isovanillin, g/kg	2.30	2.39	2.25	2.41	2.13	2.15
Average concentration of isovanillin, g/kg	2.35		2.33		2.14
Average	2.27

The solubility of isovanillin in water was 2.27 g/kg. The density of the solution is about 1 kg/L (about water density). After recalculation, the solubility of isovanillin in water is 2.27 g/L.

Conclusions:

Solubility of the test item at 20 ± 0.5 ºC and at pH ranging 5.85 - 5.87 in water is 2.27 g/L.

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 inert 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 2.27 g/L, at 20 ± 0.5 ºC and at pH 5.85 - 5.87.

Description of key information

Key study. Method according to OECD 105 / EU Method A.6 (column elution method), GLP study. The solubility of the test item in water, at 20 ± 0.5 ºC and at pH ranging 5.85 - 5.87, is 2.27 g/L.

Key value for chemical safety assessment

Water solubility:

2.27 g/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 inert 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 2.27g/L, at 20 ± 0.5 ºC and at pH 5.85 - 5.87.