2-ethyl-3-methylpyrazine

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 2017-03-27 to 2017-04-07

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

340 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

500 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 10.8 - <= 11

Details on results:

The results found after an incubation time of 72 hours did not differ by more than 15 % from the result found after an incubation time of 48 hours. The acceptance criteria was fulfilled. Thus, the study is valid.
The test item showed to be stable during the performance of the test.

Table 1. Data of the Performance of the Water Solubility Test

Sample No.	72h-1	72h-2	48h-1	48h-2	24h-1	24h-2
Weighed amount of test item [mg]	9901.50	10000.23	9890.82	10157.16	10250.97	9959.20
Added volume of water [mL]	20	20	20	20	20	20
Loading Rate [g/L]	495	500	495	508	513	498
Agitation time at 30 °C [hours]	72	72	48	48	24	24
Equilibration time at 20 °C [hours]	24	24	24	24	24	24
pH value of test item solution	10.8	10.9	10.8	10.8	11.0	11.0

 

Table 2. Results of the Water Solubility

Sample No.	Shaking time at 30 °C [hours]	Measured concentration [mg/L]	Dilution Factor	Determined Concentration [g/L]	Water Solubility Mean Value [g/L]	Overall Mean ± Std. Dev. [g/L]
72-1	72	66.4	5000	332	337	340 ±2
72-2	72	68.5	5000	343
48-1	48	67.6	5000	338	342
48-2	48	69.3	5000	346
24-1	24	68.1	5000	340	340
24-1	24	67.8	5000	339

The tabulated values of the samples represent rounded results obtained by calculation using the exact data.

Conclusions:

The water solubility of the test item was determined at 20 °C using the shake flask method. The water solubility was found to be 340 ± 2 g/L.

Executive summary:

In this study the water solubility of the test item was determined using the shake flask method according to OECD 105. Vessels containing water and the test item were shaken for 24 hours, 48 hours and 72 hours, respectively, at 30 °C. Afterwards, the samples were equilibrated for another 24 hours at 20 °C. Then, the samples were centrifuged and diluted, and the concentrations were determined by HPLC with UV-detection.

The water solubility of the test item was found to be 340 ± 2 g/L.

Description of key information

The water solubility of the test item was found to be 340 ± 2 g/L.

Key value for chemical safety assessment

Water solubility:

340 g/L

at the temperature of:

20 °C

Additional information

In this study the water solubility of the test item was determined using the shake flask method according to OECD 105. Vessels containing water and the test item were shaken for 24 hours, 48 hours and 72 hours, respectively, at 30 °C. Afterwards, the samples were equilibrated for another 24 hours at 20 °C. Then, the samples were centrifuged and diluted, and the concentrations were determined by HPLC with UV-detection.

The water solubility of the test item was found to be 340 ± 2 g/L.