Bis(2-chloroethyl) ether

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 28-apr-2016 to 23-feb-2017

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

Specific details on test material used for the study:

TEST MATERIAL
- Name (as cited): 2,2′-Dichlorodiethyl ether (CAS #111-44-4)
- Purity: 99.8%

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: n°SHBD4430V
- Expiration date of the lot/batch: 02/06/2017

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: room temperature

Key result

Water solubility:

ca. 10.6 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

50 g/L

Incubation duration:

> 24 - < 72 h

Temp.:

25 °C

pH:

ca. 6.4

Remarks on result:

other: mean value

Details on results:

See section "Any other information on results incl. tables"

- Preliminary test:

Test temperature: 25°C

Solvent used: milliQ water at pH 6.4

Amount test item weighted (g)	0.1	0.1	0.1	0.1
Volume of water added (mL)	10	10	10	10
Duration of stirring (h)	1	2.5	4	96
Solubilized (yes/no)	no	no	yes	yes

Amount test item weighted (g)	0.1	0.1	0.1	0.1
Volume of water added (mL)	100	100	100	100
Duration of stirring (h)	0.5	1	2	4
Solubilized (yes/no)	no	no	no	yes

Conclusion: The solubility in water is approx. 10 g/L at pH 6.4 and 25°C.

- Confirmation test:

Test temperature: 25°C

Solvent used: milliQ water at pH 6.4

Analytical method: GC-FID

Presaturation period	Water solubility at pH 6.4 and 25°C (g/L)
24h	10.70
48h	10.73
72h	10.37*
Mean value	10.60

*Mean of two determinations. As required by the Guideline, the concentrations measured in the 2 last vessels did not differ by more than 15%.

Conclusions:

The water solubility of the test item is 10.60 g/L at a mean temperature of 25°C and at a mean pH of 6.4.

Executive summary:

The water solubility of the test item was assessed according to the OECD Guideline No. 105 with GLP statement.

As the water solubility of the test item was found to be near 10 g/L during the premiminary test, the flask method was used in the confirmation test (the flask method is recommanded for substance having a solubility > 0.01g/L). The test was run at 25°C and pH 6.4. In the final confirmation test, four 250 mL flasks were used to mix 5 x 5 g of the test item with 100 mL of ultrapure water. Flasks were placed in a temperature controlled oven at 30°C under magnetic stirring. After 24 hours, two flasks were removed and placed in another temperature controlled oven at 20 +/- 0.5°C for 24 to 72 hours. After separation of the insoluble part by filtration with CME filters, the concentration of the test item in the clear aqueous phase was determined using the recommended analytical method (GC-FID, detection limit of the method was 0.5 µg/mL (corresponding to 0.025 g/L in the raw sample) and quantification limit was 5 µg/mL (corresponding to 0.25 g/L in the raw sample).

Water solubility results:

- 24h presaturation: test item concentration 10.7 g/L;

- 48h presaturation: test item concentration 10.73 g/L;

- 72h presaturation: test item concentration 10.37 g/L.

The test was considered as satisfactory as the concentrations in the two last vessels (i.e. presaturated for 72h) did not differ by more than 15%. Thus, the water solubility of the test item was found to reach 10.6 g/L at 25°C.

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Remarks:

The duration of the equilibration period is not specified. The pH of the satuarted solutions is not reported.

Type of method:

flask method

Specific details on test material used for the study:

TEST MATERIAL:
- Names (as cited): Bis(2-chloroethyl) ether
- Pueity: not specified

Water solubility:

9.799 g/L

Conc. based on:

test mat.

Temp.:

10 °C

Water solubility:

10.11 g/L

Conc. based on:

test mat.

Temp.:

20 °C

Water solubility:

10.216 g/L

Conc. based on:

test mat.

Temp.:

30 °C

Conclusions:

The solubility of Bis(2-chloroethyl) ether was determined to be 9.799, 10.110 and 10.216 g/L at 10, 20 an 30°C, respectively.

Executive summary:

This report from the Engineering & Services Laboratory of the Tyndall Air Force Base (U.S.A.) includes aqueous solubility data of 51 compounds determined at 10, 20, and 30°C. The solubility of Bis(2-chloroethyl) ether was determined to be 9.799, 10.110 and 10.216 g/L at 10, 20 an 30°C, respectively. The methodology (flask method with quantification using GC-FID) was similar to guidelines. The report has been subjected to a formal review process. Accordingly, it has been assigned a reliability score of 2.

Reference 3

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

Remarks:

Some methodological details are lacking to fully judge the deviations from guidelines

Type of method:

flask method

Specific details on test material used for the study:

TEST MATERIAL
- Names (as cited): 2-Chloroethyl Ether
- Purity: 99%

Water solubility:

10.4 g/L

Conc. based on:

test mat.

Temp.:

20 °C

The following table present the solubility of Bis(2-chloroethyl) ether at various temperature:

Temperature (°C)	Solubility (g/L)
0.0	11.4
9.6	10.9
20.0	10.4
31.0	10.3
40.0	10.5
50.1	11.1
60.7	11.1
70.6	12.8
80.9	13.6
91.7	15.1

Conclusions:

The solubility limit of Bis(2-chloroethyl) ether at 20°C was determined at 10.4 g/L.

Executive summary:

This publication reports the mutual solubility value of water and Bis(2-chloroethyl) ether. Water and Bis(2-chloroethyl) ether were brought into equilibrium in a thermostat at various temperatures ranging from 0 to c.a. 90°C, and samples of each layer were removed for analysis. Samples were analyzed  with a Gow-Mac Series 550 thermal conductivity GC, Chromosorb 101 packing, and a Hewlett-Packard 3390A recorder-integrator (GC-TCD). The solubility limit of Bis(2-chloroethyl) ether at 20°C was determined at 10.4 g/L.

The methodology is described in sufficient details and is comparable to guidelines. In addition, the study has been subject to peer-review. Accordingly, it has been assigned a reliability score of 2.

Description of key information

The water solubility of the Bis(2 -chloroethyl) ether (purity: 99.8%) was assessed according to the OECD Guideline No. 105 with GLP statement. The water solubility of the test item was found to be 10.6 g/L at 25°C and at pH 6.4.

Key value for chemical safety assessment

Water solubility:

10.6 g/L

at the temperature of:

25 °C

Additional information

The water solubility of the Bis(2 -chloroethyl) ether (purity: 99.8%) was assessed according to the OECD Guideline No. 105 with GLP statement. As the water solubility of the test item was found to be near 10 g/L during the premiminary test, the flask method was used in the confirmation test. The test was run at 25°C and pH 6.4. In the final confirmation test, four 250 mL flasks were used to mix 5 x 5 g of the test item with 100 mL of ultrapure water. Flasks were placed in a temperature controlled oven at 30°C under magnetic stirring. After 24 hours, two flasks were removed and placed in another temperature controlled oven at 20 +/- 0.5°C for 24 to 72 hours. After separation of the insoluble part by filtration, the concentration of the test item in the clear aqueous phase was determined using the recommended analytical method (GC-FID). The test was considered as satisfactory as the concentrations in the two last vessels (i.e. presaturated for 72h) did not differ by more than 15%. The water solubility of the test item was found to be 10.6 g/L at 25°C and at pH 6.4. This data is considered reliable without restrictions (Reliability 1).

In the data book from the Air Force Engineering & Services Center of Tyndall Air Fiorce Base (Howe et al., 1987), the aqueous solubilities of 51 compounds determined at 10, 20, and 30°C are reported. The solubility of Bis(2-chloroethyl) ether was determined to be 9.799, 10.110 and 10.216 g/L at 10, 20 an 30°C, respectively. The methodology (flask method with quantification using GC-FID) was similar to guidelines. The report has been subjected to a formal review process. Accordingly, it has been assigned a reliability score of 2.

Stephenson (J. Chem. Eng. Data, 1992, 37:80-95) reports the mutual solubility value of water and various chemicals including ketones, ethers, and gasoline-alcohols. Water and Bis(2-chloroethyl) ether were brought into equilibrium in a thermostat at various temperatures ranging from 0 to c.a. 90°C, and samples of each layer were removed for analysis. Samples were analyzed  by GC-TCD. The method used is described in sufficient details and is comparable to guidelines. The solubility limit of Bis(2-chloroethyl) ether at 20°C was determined at 10.4 g/L. The methodology is described in sufficient details and is comparable to guidelines. In addition, the study has been subject to peer-review. Accordingly, it has been assigned a reliability score of 2.