Reaction mass of isopentyl salicylate and 2-methylbutyl salicylate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

3 October 2018 to 26 October 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

July 1995

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:

0.004 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 6.32 - <= 7.28

In the test, the following flasks were used:

Flask 1 (samples 1 & 2) – for one day at 30 ºC;

Flask 2 (samples 3 & 4) – for two days at 30 ºC;

Flask 3 (samples 5 & 6) – for three days at 30 ºC.

The individual results from each of three flasks, which should not differ by more than 15%, are averaged. If the concentrations measured in at least the two last samples do not differ by more than 15% the test is satisfactory.

Water solubility is expressed in mass of solute per volume of solution.

Table 1. Results of the preliminary test:

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

Table 2: Calibration solution

Day	Weight (mg)	Dilution (mL)	Cw(mg/mL)	Peak area		Average peak area Aw	f	Average f
1	24.77	25-1.0-25-1-10-2-5	0.00158	135379	138081	136730	0.00001158	0.00001144
		25-1.0-25-1-10	0.00396	349664	350844	350254	0.00001130
2	24.77	25-1.0-25-1-10-2-5	0.00158	137576	138644	138110	0.00001181	0.00001172
		25-1.0-25-1-10	0.00396	350263	350719	350491	0.00001164
3	24.77	25-1.0-25-1-10-2-5	0.00158	137146	137257	137201.5	0.00001154	0.0000146
		25-1.0-25-1-10	0.00396	348150	348313	348231.5	0.00001137

 

Table 3: Study solution in water

Sample day/flask		Weight of the sample (mg)	Dilution (mL)	Cp (mg/mL)	Peak area		Average peak area Ap	X (g/kg)
1	1	1997.63	5	399.526	144333	143291	143812	0.0041
	2	1998.84		399.768	146348	147595	146971.5	0.0042
2	3	2006.97	5	401.394	142114	143153	142633.5	0.0042
	4	2010.47		402.094	144295	144319	144307	0.0042
3	5	2016.91	5	403.382	144818	144259	144538.5	0.0041
	6	2011.83		402.366	144541	144337	144439	0.0041

Table 4. Results of the test item solubility in water:

Mixing time at 30ºC (days, flasks)	1		2		3
Samples	1	2	3	4	5	6
Temperature (ºC)	20.0		20.1		20.3
Concentration of test item (g/kg)	0.0041	0.0042	0.0042	0.0042	0.0041	0.0041
Average concentration of test item (g/kg)	0.0042		0.0042		0.0041
Average concentration of test item (g/kg)	0.0042

The solubility of Reaction mass of isopentyl salicylate and 2-methybutyl salicylate in water is 0.0042 g/kg. The density of this solution is about 1 kg/l (about water density). After recalculation:

The solubility of Reaction mass of isopentyl salicylate and 2-methybutyl salicylate at pH 6.32 – 7.28 in water is 0.0042 g/l.

Conclusions:

The solubility of the test item at 20± 0.5 ºC and pH 6.32 - 7.28 in water is 0.0042 g/l.

Executive summary:

The solubility of the test item in water was assessed using the flask method according to OECD 105 and EU method A.6, under GLP conditions. A preliminary study was performed to determine an approximate solubility of the test item at the solvent volume in which the whole substance was dissolved. The test item was placed into 100 mL glass vessels fitted with glass stoppers and double distilled water was added to the vessel. The closed vessels were agitated. The test item content in obtained samples for study of the solubility in the water values was determined by a validated HPLC method. The solubility of the test item at 2 0± 0.5 ºC and at pH ranging from 6.32 - 7.28 is 0.0042 g/L

Description of key information

Key study. OECD 105 and EU Method A.6 . GLP study. The solubility of the test item in water at pH 6.32 -7.28 is 0.0042 g/l.

Key value for chemical safety assessment

Water solubility:

0.004 g/L

at the temperature of:

20 °C

Additional information

The solubility of the test item in water was assessed using the flask method according to OECD 105 and EU method A.6, under GLP conditions. A preliminary study was performed to determine an approximate solubility of the test item at the solvent volume in which the whole substance was dissolved. The test item was placed into 100 mL glass vessels fitted with glass stoppers and double distilled water was added to the vessel. The closed vessels were agitated. The test item content in obtained samples for study of the solubility in the water values was determined by a validated HPLC method. The solubility of the test item at 2 0± 0.5 ºC and at pH ranging from 6.32 - 7.28 is 0.0042 g/L