1-(2,4-dichlorophenyl)ethan-1-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 14 February 2018 to 27 February 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:

ca. 0.371 g/L

Conc. based on:

test mat.

Incubation duration:

>= 1 - <= 3 d

Temp.:

20 °C

pH:

>= 6.1 - <= 6.16

In the test, the following flasks were used:

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

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

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

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.

Solubility of the1-(2,4-dichlorophenyl)ethanonein water

Table 1. 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 2: Calibration solution

Day	Weight [mg]	Dilution [mL]	Cw [mg/mL]	Peak area		Average peak area Aw	f	Average  f
1	20.40	25-0.1-25	0.00325	338834	336857	337845.5	0.00000963	0.00001038
		25-0.2-25	0.00651	589327	580381	584854	0.00001113
2	20.40	25-0.1-25	0.00325	337772	337336	337554	0.00000993	0.00001043
		25-0.2-25	0.00651	612426	614975	613700.5	0.00001092
3	20.40	25-0.1-25	0.00325	320545	316797	318671	0.00001021	0.00001052
		25-0.2-25	0.00651	602520	599948	601234	0.00001083

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	1005.55	10-1-10	10.0555	358064	361121	359592.5	0.3712
	2	1002.15		10.0215	364357	364849	364603	0.3777
2	3	1015.10	10-1-10	10.1510	372218	362536	367377	0.3773
	4	1015.00		10.1500	351844	350695	351269,5	0.3608
3	5	1016.90	10-1-10	10.1690	365433	365319	365376	0.3730
	6	1021.75		10.2175	358078	358227	358152.5	0.3639

Table 4. Results of 1-(2,4-dichlorophenyl)ethanonesolubility in water

Mixing timeat 30 ºC [days, flasks]	1		2		3
Samples	1	2	3	4	5	6
Temperature, ºC	20.1		20.0		20.2
pH	6.10		6.13		6.16
Concentration of 1-(2,4-dichlorophenyl)ethanone, g/kg	0.3712	0.3777	0.3773	0.3608	0.3730	0.3639
Average concentration of1-(2,4-dichlorophenyl)ethanone,g/kg	0.3745		0.3691		0.3685
Average concentration of  1-(2,4-dichlorophenyl)ethanone, g/kg	0.3707

The solubility of1-(2,4-dichlorophenyl)ethanonein wateris0.3707g/kg. The density of this solution is about 1kg/L (about water density). After recalculation:

 

The solubility of1-(2,4-dichlorophenyl)ethanone at pH 6.10 – 6.16 in water is 0.3707g/L

Conclusions:

The solubility of 1-(2,4-dichlorophenyl)ethanone at pH 6.10 – 6.16 in water is 0.3707 g/L

Executive summary:

The study of the determination of test item solubility in water at one pH value using shake flask method was performed according to OECD 106 and EU method A.6, following GLP. The test item content in obtained samples for study of the solubility in the water at three pH values was determined by HPLC method, using a liquid chromatograph Spectra-Physics. The solubility of the test iem at pH 6.10 – 6.16 in water is 0.3707 g/L.

Description of key information

Key study: OECD 106 and EU method A.6. GLP study. The solubility of 1-(2,4-dichlorophenyl)ethanone at pH 6.10 – 6.16 in water is 0.3707 g/L.

Key value for chemical safety assessment

Water solubility:

0.371 g/L

at the temperature of:

20 °C

Additional information

Key study: The study of the determination of test item solubility in water at one pH value using shake flask method was performed according to OECD 106 and EU method A.6, following GLP. The test item content in obtained samples for study of the solubility in the water at three pH values was determined by HPLC method, using a liquid chromatograph Spectra-Physics. The solubility of the test iem at pH 6.10 – 6.16 in water is 0.3707 g/L.