3-(2-methoxy-5-methylphenyl)-3-phenylpropanoic acid

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 August 31st, 2018 to September 7th, 2018

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:

0.014 g/L

Conc. based on:

test mat. (total fraction)

Incubation duration:

72 h

Temp.:

20 °C

pH:

>= 4.99 - <= 5.09

Table 1. Results of the test item solubility in water

Mixing time at 30 ºC [days, flasks]	1		2		3
Samples	1	2	3	4	5	6
Temperature, ºC	20.1		20.0		20.2
pH	5.09		5.06		4.99
Concentration of the test item, g/kg	0.0143	0.0141	0.0143	0.0144	0.0139	0.0141
Average concentration of the test item, g/kg	0.0142		0.0144		0.0140
Average concentration the test item, g/kg	0.0142

 

Table 2. Results of the preliminary test

0.1g 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 3. Calibration solution

Day	Weight [mg]	Dilution [mL]	Cw [mg/mL]	Peak area		Average peak area Aw	f	Average f
1	13.02	25-0.1-10-1-10	0.00052	59232	58900	59066	0.00000877	0.00000912
		25-0.2-10-1-10	0.00104	109771	109330	109550.5	0.00000946
2	13.02	25-0.1-10-1-10	0.00052	59660	59920	59790	0.00000893	0.00000926
		25-0.2-10-1-10	0.00104	111332	111262	111297	0.00000959
3	14.05	25-0.1-10-1-10	0.00056	60854	60711	60782.5	0.00000920	0.00000952
		25-0.2-10-1-10	0.00112	113999	113124	113561.5	0.00000985

 

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	507.23	10	50.7230	79480	79361	79420.5	0.0143
	2	505.93		50.5930	77976	78115	78045.5	0.0141
2	3	495.42	10	49.5420	76487	76583	76535	0.0143
	4	470.68		47.0680	73739	73079	73409	0.0144
3	5	498.98	10	49.8980	73301	72178	72739.5	0.0139
	6	497.28		49.7280	73797	73557	73677	0.0141

Conclusions:

The water solubility of the test item was found to be 0.0142 g/l at 20ºC.

Executive summary:

The water solubility of the test item was determined using the shake flask method according to OECD 105 and EU method A.6, under GLP conditions. After a preliminary test to determine the necessary concentration to saturate 70 mL of water, three 100 ml beakers were filled with 5 times this concentration. The three flasks were centrifuged for one day at 20ºC, and two and three days at 30ºC respectively. The concentration of the test substance was measured with a validated HPLC method and since results of the three vessels did not differ by more than 15% the test was considered satisfactory. Two replicate measurements were performed. The water solubility of the test item was 0.0142 g/l at 20 ± 0.5°C (pH 4.99 -5.09).

Description of key information

Key study. Method according to OECD 105/ EU A.6, GLP study. The water solubility of the test item was 0.0142 g/l at 20ºC.

Key value for chemical safety assessment

Water solubility:

0.014 g/L

at the temperature of:

20 °C