ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20 Feb - 22 Mar

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes

Type of method:

column elution method

Water solubility:

1.06 mg/L

Temp.:

20 °C

pH:

> 5.54 - <= 6.85

Water solubility:

0.72 mg/L

Temp.:

9 °C

pH:

> 6.01 - <= 7.2

Water solubility:

1.86 mg/L

Temp.:

31 °C

pH:

> 6.42 - <= 7.27

Details on results:

Determinations were also made at 9°C and at 31 °C and a temperature dependence of >3% per °C was found.
The test substance was found not to ionise over the pH range 3.6 to 8.0. However, at high pH, base hydrolysis was thought to occur.
Significant decomposition of the test substance at the test temperature of 31°C was found. The acid, was detected and the ratio of acid and test item was found to be ca. 1:4.

Preliminary Test (A.6.1.6.2)

The solubility of the test item in water at 21 °C was found to be less than

10^-2 g/L. Consequently, the column method for the solubility test was selected.

Mean Test

Saturation temperature 20 °C

Run 1

flow-rate 104 mL/h

Concentration [mg/L]	pH
1.024	5.54
1.013	6.78
1.017	6.32
1.023	6.60
1.009	6.85

 

Run 2

flow-rate 50 mL/h

Concentration [mg/L]	pH
1.180	6.56
1.142	6.34
1.066	6.68
1.084	6.79
1.059	6.41

 

Saturation temperature 9 °C

Run 1

flow-rate 108 mL/h

Concentration [mg/L]	pH
0.719	6.01
0.740	6.35
0.735	6.72
0.674	6.30
0.731	7.20

 

Run 2

flow-rate 51 mL/h

Concentration [mg/L]	pH
0.708	7.09
0.720	6.81
0.722	7.12
0.711	6.88
0.729	6.54

 

Saturation temperature 31 °C

Run 1

flow-rate 99 mL/h

Concentration [mg/L]	pH
1.985	6.42
2.025	6.95
1.856	7.27
1.859	7.15
1.793	6.84

 

Run 2

flow-rate 50 mL/h

Concentration [mg/L]	pH
1.682	7.21
1.961	6.93
1.794	7.24
2.057	6.83
1.731	6.51

 

 

Temperature [°C]	Average (σn-1)		Average
	Run 1	Run 2
20.0	1 .017 (0.0064)	1.106 (0.053)	1.062
9.0	0.720 (0.027)	0.718 (0.009)	0.719
31.0	1 .904 (0.097)	1.845 (0.159)	1.875

 

Final result

Correction of solubility for the volume expansion of water and for the purity of the test substance (values rounded to two decimal places)

 

Temperature [°C]	Concentration mg/L
20.0	1.06
9.0	0.72
31.0	1.86

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)

Description of key information

1.06 mg/L at 20 °C (pH: 5.54 - 6.85)
0.72 mg/L at 9 °C (pH: 6.01 - 7.20)
1.86 mg/L at 31 °C (pH: 6.42 - 7.27)

Key value for chemical safety assessment

Water solubility:

1.06 mg/L

at the temperature of:

20 °C

Additional information

OECD Guideline 105, column elution method