Mecoprop

Solubility in organic solvents / fat solubility

Link to relevant study record(s)

Reference

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 April 1999 to 23 June 1999

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: OECD Method 105

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Key result

Medium:

acetone

Solubility:

> 1 000 g/L

Temp.:

20 °C

Key result

Medium:

methanol

Solubility:

> 1 000 g/L

Temp.:

20 °C

Key result

Medium:

other: n-heptane

Solubility:

4.11 g/L

Temp.:

20 °C

Key result

Medium:

other: xylene

Solubility:

126 g/L

Temp.:

20 °C

Key result

Medium:

other: 1,2-dichloroethane

Solubility:

200 g/L

Temp.:

20 °C

Key result

Medium:

ethyl acetate

Solubility:

469 g/L

Temp.:

20 °C

Test substance stable:

not determined

Details on results:

- The detector calibration was found to be linear over the range 0 to 255 mg/L of standard solutions in mobile phase with a regression coefficient of 1.0000.
- The solubility of the test material was found to be: 4.11 g/L in n-heptane; 126 g/L in xylene; 200 g/L in 1,2-dichloroethane; greater than 10 00 g/L in methanol; greater than 1 000 g/L in acetone; and 469 g/L in ethyl acetate.

Results of the Preliminary Investigations.

Solvent	Solubility (g/L)
n-Heptane	2 – 5
Xylene	140 – 170
1,2-Dichloroethane	250 – 330
Methanol	> 1 000
Acetone	> 1 000
Ethyl acetate	500 - 1 000

 

Solubility of the Test Material

Solvent	Time (hours)	Concentration (g/L)	Mean Concentration (g/L)	Mean Solubility
n-heptane	4	4.390, 4.257	4.324	4.11 ± 0.26 g/L (C. of V. = 6.2 %)
	24	3.859, 3.930	3.895
xylene	4	122.7, 130.3	126.5	126 ± 3 g/L (C. of V. = 2.7 %)
	24	125.3, 123.7	124.5
1,2-dichloroethane	4	209.5, 205.8	207.7	200 ± 9 g/L (C. of V. 4.7 %)
	24	192.7, 190.4	191.6
ethyl acetate	4	474.8, 476.0	475.4	469 ± 7 g/L (C. of V. 1.5 %)
	24	464.5, 462.3	463.4

Standard Calibration for Test Material by HPLC

Standard Concentration (mg/L)	Peak Area
50.90	720.2
101.8	1 461
152.7	2 207
203.6	2 955
254.4	3 687

Linear regression (including x=0, y=0)

y = 14.5x – 10.7

r = 1.0000

x = Concentration

y = Peak area

Conclusions:

Under the conditions of this study, the solubility of the test material was found to be: 4.11 g/L in n-heptane; 126 g/L in xylene; 200 g/L in 1,2-dichloroethane; greater than 1000 g/L in methanol; greater than 1000 g/L in acetone; and 469 g/L in ethyl acetate.

Executive summary:

The solubility of the test material in organic solvents was investigated in accordance with the standardised guideline OECD 105, under GLP conditions.

The solubility of the test material was determined in each of the following solvents: n-heptane, xylene, 1,2-dichloroethane, methanol, acetone and ethyl acetate. In the preliminary test known weights of test material were shaken with increasing amounts of each solvent until the compound completely dissolved. The solubility of the test material in n-heptane, xylene, 1,2-dichloroethane and ethyl acetate was subsequently determined by the definitive flask shake method. Since the solubility in methanol and acetone was greater than 1 000 g/L in the preliminary test no further testing was required.

Under the conditions of this study, the solubility of the test material was found to be: 4.11 g/L in n-heptane; 126 g/L in xylene; 200 g/L in 1,2-dichloroethane; greater than 1 000 g/L in methanol; greater than 1 000 g/L in acetone; and 469 g/L in ethyl acetate.

Description of key information

Under the conditions of this study, the solubility of the test material was found to be: 4.11 g/L in n-heptane; 126 g/L in xylene; 200 g/L in 1,2-dichloroethane; greater than 1 000 g/L in methanol; greater than 1 000 g/L in acetone; and 469 g/L in ethyl acetate.

Additional information

The solubility of the test material in organic solvents was investigated in accordance with the standardised guideline OECD 105, under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

The solubility of the test material was determined in each of the following solvents: n-heptane, xylene, 1,2-dichloroethane, methanol, acetone and ethyl acetate. In the preliminary test known weights of test material were shaken with increasing amounts of each solvent until the compound completely dissolved. The solubility of the test material in n-heptane, xylene, 1,2-dichloroethane and ethyl acetate was subsequently determined by the definitive flask shake method. Since the solubility in methanol and acetone was greater than 1 000 g/L in the preliminary test no further testing was required.

Under the conditions of this study, the solubility of the test material was found to be: 4.11 g/L in n-heptane; 126 g/L in xylene; 200 g/L in 1,2-dichloroethane; greater than 1 000 g/L in methanol; greater than 1 000 g/L in acetone; and 469 g/L in ethyl acetate.