Reaction mass of 3,4,5-trichlorophthalic acid, strontium salt and 3,4,6-trichlorophthalic acid, strontium salt and 3,4-dichlorophthalic acid, strontium salt and 3,5-dichlorophthalic acid, strontium salt and 3,6-dichlorophthalic acid, strontium salt and 3-chlorophthalic acid, strontium salt and 4,5-dichlorophthalic acid, strontium salt and 4-chlorophthalic acid, strontium salt

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2019-07-11 to 2019-10-31

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Annex, Part A

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

GLP compliance:

no

Type of method:

flask method

Water solubility:

442 mg/L

Conc. based on:

test mat. (dissolved fraction)

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

4.9

Remarks on result:

other: Water solubility of Strontium 4,5-dichlorophthalate. Mean pH and mean solubility from three experiments.

Water solubility:

5 641.5 mg/L

Conc. based on:

test mat. (dissolved fraction)

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

4.9

Remarks on result:

other: Water solubility of Strontium 3,4-dichlorophthalate. Mean pH and mean solubility from three experiments.

Water solubility:

1 163.5 mg/L

Conc. based on:

test mat. (dissolved fraction)

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

4.9

Remarks on result:

other: Water solubility of Strontium 3,6-dichlorophthalate and Strontium 4-chlorophthalate. Mean pH and mean solubility from three experiments.

Water solubility:

430.2 mg/L

Conc. based on:

test mat. (dissolved fraction)

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

4.9

Remarks on result:

other: Water solubility of Strontium 3,4,5-trichlorophthalate and Strontium 3,4,6-trichlorophthalate. Mean pH and mean solubility from three experiments.

Preliminary estimation of the water solubility - visual estimation

Increasing amounts of distilled water were added stepwise to 9.25 mg of the test item.

Table 1: Appearance of test mixture during preliminary test

Amount of test item [mg]	Total volume [mL]	Appearance of mixture (mixture was shaken for 10 minutes)
9.25	0.1	Undissolved particles*
	0.5	Undissolved particles*
	1	Undissolved particles*
	2	Undissolved particles*
	10	Undissolved particles*
	100	Clear solution, test item completely dissolved

*The mixture was shaken for 10 minutes.

Result:

In a total volume of 100 mL of distilled water the test item was completely dissolved. Thus, the water solubility of the test item in distilled water was estimated to be between 0.0925 g/L and 0.925 g/L. Due to the fact that the estimated solubility of the test item was above 10 mg/L, the main test for the determination of the water solubility had to be performed according to the "flask method”.

Main test (flask method) in distilled water

100 mL of distilled water were added to three individual sample weights of approximately 10 g of the test item and stirred at 30 °C for different time intervals. After equilibration (24 h at 20 °C) aliquots of the saturated aqueous phases were filtered through 0.45 μm one-way syringe filters (SPARTAN 13, RC-membrane, Whatman). The first 0.5 mL of the filtrate were discarded. For the determination of the concentrations of the constituents of the test item two individual dilutions were prepared. For the main constituent (Strontium 4,5-dichlorophthalate) 0.5 mL of filtrate were diluted to 10 mL with methanol / water 50:50, v/v. For the other constituents 0.1 mL of filtrate were diluted to 25 mL with methanol / water 50:50, v/v. The results of the solubility measurements are shown in Table 2 to Table 6. The contents of the constituents of the test item have been taken into account.

Table 2: Test conditions for the water solubility experiments

Flask No.	1	2	3	Blank
Amount test item [g]	9.96	10.03	10.18	-
Stirring time at 30 °C	72	48	24	72
Equilibration time at 20 °C [h]	24	24	24	24
pH after separation at 20 °C	4.87	4.85	4.92	6.04

Table 3: Water solubility of Strontium 4,5-dichlorophthalate

Flask	Sample	Conc. [mg/L]	Mean [mg/L]	RSD [%]
3	1 day, I	439.4402	440.0278	1.04
	1 day, I	446.6236
	1 day, II	437.8153
	1 day, II	436.2321
2	2 days, I	443.2642	442.6144	0.33
	2 days, I	442.9457
	2 days, II	443.7471
	2 days, II	440.5058
1	3 days, I	437.5726	443.2872	1.03
	3 days, I	447.1950
	3 days, II	446.7936
	3 days, II	441.5876
		Mean of flasks 1 to 3	442.0
		Std. Dev.	0.4

Table 4: Water solubility of Strontium 3,4-dichlorophthalate

Flask	Sample	Conc. [mg/L]	Mean [mg/L]	RSD [%]
3	1 day, I	5695.4604	5704.7528	0.62
	1 day, I	5666.6906
	1 day, II	5704.9883
	1 day, II	5751.8719
2	2 days, I	5619.7014	5631.4368	0.80
	2 days, I	5696.7195
	2 days, II	5614.2093
	2 days, II	5595.1168
1	3 days, I	5518.6103	5588.4367	1.45
	3 days, I	5651.6897
	3 days, II	5518.2158
	3 days, II	5665.2310
		Mean of flasks 1 to 3	5641.5
		Std. Dev.	1.0

Table 5: Water solubility of Strontium 3,6-dichlorophthalate and Strontium 4-chlorophthalate

Flask	Sample	Conc. [mg/L]	Mean [mg/L]	RSD [%]
3	1 day, I	1143.2279	1133.6525	0.65
	1 day, I	1125.3448
	1 day, II	1133.4863
	1 day, II	1132.5509
2	2 days, I	1169.9392	1186.4055	1.62
	2 days, I	1190.2557
	2 days, II	1212.0400
	2 days, II	1173.3872
1	3 days, I	1200.7103	1170.3165	2.85
	3 days, I	1123.4539
	3 days, II	1184.9961
	3 days, II	1172.1056
		Mean of flasks 1 to 3	1163.5
		Std. Dev.	2.3

Table 6: Water solubility of Strontium 3,4,5-trichlorophthalate and Strontium 3,4,6-trichlorophthalate

Flask	Sample	Conc. [mg/L]	Mean [mg/L]	RSD [%]
3	1 day, I	425.7026	425.0117	0.63
	1 day, I	421.5845
	1 day, II	424.7021
	1 day, II	428.0576
2	2 days, I	437.4787	429.0523	1.38
	2 days, I	428.8217
	2 days, II	424.4850
	2 days, II	425.4236
1	3 days, I	440.5870	436.6802	1.09
	3 days, I	433.9040
	3 days, II	431.3806
	3 days, II	440.8490
		Mean of flasks 1 to 3	430.2
		Std. Dev.	1.4

The measured concentrations from all three tests for all constituents of the test item were within the required range and therefore were used for calculation of the average water solubility in distilled water, respectively.

Conclusions:

The following water solubilities of constituents of the test item at 20 °C (pH 4.9) have been determined (values resulting from three experiments):
- Strontium 4,5-dichlorophthalate: 442.0 mg/L
- Strontium 3,4-dichlorophthalate: 5641.5 mg/L
- Strontium 3,6-dichlorophthalate + Strontium 4-chlorophthalate: 1163.5 mg/L
- Strontium 3,4,5-trichlorophthalate + Strontium 3,4,6-trichlorophthalate: 430.2 mg/L

Executive summary:

The water solubility of the test item was determined by the flask method according to OECD Guideline 105. The concentrations of the constituents were determined by HPLC analysis. The following water solubilities of constituents of the test item at 20 °C (pH 4.9) have been determined (values resulting from three experiments):

- Strontium 4,5-dichlorophthalate: 442.0 mg/L

- Strontium 3,4-dichlorophthalate: 5641.5 mg/L

- Strontium 3,6-dichlorophthalate + Strontium 4-chlorophthalate: 1163.5 mg/L

- Strontium 3,4,5-trichlorophthalate + Strontium 3,4,6-trichlorophthalate: 430.2 mg/L

The contents of the constituents of the test item have been taken into account.

Description of key information

The water solubility of the test item was determined by the flask method according to OECD Guideline 105. The concentrations of the constituents were determined by HPLC analysis. The following water solubilities of constituents of the test item at 20 °C (pH 4.9) have been determined (values resulting from three experiments):

- Strontium 4,5-dichlorophthalate: 442.0 mg/L

- Strontium 3,4-dichlorophthalate: 5641.5 mg/L

- Strontium 3,6-dichlorophthalate + Strontium 4-chlorophthalate: 1163.5 mg/L

- Strontium 3,4,5-trichlorophthalate + Strontium 3,4,6-trichlorophthalate: 430.2 mg/L

The contents of the constituents of the test item have been taken into account.