1-butylpyrrolidin-2-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017-07-13 - 2017-10-11

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

OECD 1995

Deviations:

yes

Remarks:

see 'Principles of method if other than guideline'

Principles of method if other than guideline:

Protocol Deivations
1. The protocol states that, “Approximately 0.1 g of test substance (solid substances must be pulverized) will be added to three 10-mL glass stoppered test vessels.” The experiment was conducted using one glass vessel with a Teflon®-lined cap. The protocol misstated the standard process, which uses a glass vessel with the appropriate closure and requires a minimum of one test sample, not three. There is no impact to the quality of the results or interpretation of this study.
2. The protocol states that the test substance will be added to glass stoppered test vessels. The experiment was performed using glass vessels with Teflon®-lined caps. The Teflon®-lined closures are suitably inert and present no interference to the experiment.
3. The protocol states that the vessels will be removed and re-equilibrated for 24 hours at the test temperature (20 ± 0.5 °C) with occasional shaking. On test day three, the 72- and 48-hour vessels were removed, unwrapped, and observed to be in solution. The observation was performed at room temperature at approximately 20 °C. The samples were not equilibrated at 20 ± 0.5 °C. There is no estimated impact on the study and the Study Sponsor was notified at this time.
4. The protocol states that about five times the quantity of test substance (solid substances must be pulverized) needed to achieve the expected water solubility (determined as described above) will be weighed, the amount recorded, and added into each of three glass vessels. During the water solubility definitive experiment, the 72-hour sample was observed to be completely in solution during the 24 hour and 48 hour observations. The Study Director requested an additional 5 g of test substance be added to the 72-hour vessel to determine if it would go into solution. It was observed that the addition 5 g went into solution. The concentration of solute (substance) to solvent (water) was 1.998 g/mL following the 5 g addition. The Study Director terminated the study at this time, stating that the liquids are miscible in each other. This act caused the termination of the study.

GLP compliance:

yes

Type of method:

flask method

Key result

Remarks on result:

completely miscible

Details on results:

The maximum concentration of the substance tested in the definitive experiment was 19.9607 g substance dissolved into 10 mL of purified reagent water. The ratio of solute to solvent is 1.998 g/1.0 mL or effectively 2/1. The inverse of this ratio states that purified reagent water was soluble in substance at greater than or equal to 500 g of purified reagent water/1000 g of the substance. The substance remained in solution during all observations at ambient temperature following termination.

The protocol states that about five times the quantity of test substance (solid substances must be pulverized) needed to achieve the expected water solubility (determined as described above) will be weighed, the amount recorded, and added into each of three glass vessels. During the water solubility definitive experiment, the 72-hour sample was observed to be completely in solution during the 24 hour and 48 hour observations. The Study Director requested an additional 5 g of test substance be added to the 72-hour vessel to determine if it would go into solution. It was observed that the addition 5 g went into solution. The concentration of solute (substance) to solvent (water) was 1.998 g/mL following the 5 g addition. The Study Director terminated the study at this time, stating that the liquids are miscible in each other. This act caused the termination of the study.

Conclusions:

The substance was determined to be 100% miscible with water by visual observation.

Executive summary:

The water solubility of the test substance was determined according to OECD Guideline 105 and in accordance with GLP with the flask method. The substance was determined to be 100 % miscible with water by visual observation.

Description of key information

The water solubility of the test substance was determined according to OECD Guideline 105 and in accordance with GLP with the flask method. The substance was determined to be 100 % miscible with water by visual observation.
Assumption (quantification required for CHESAR calculation): 1000 g/L

Key value for chemical safety assessment

Water solubility:

1 000 g/L

at the temperature of:

20 °C

Additional information

Key: McLean-2017a

The water solubility of the test substance was determined according to OECD Guideline 105 and in accordance with GLP with the flask method. The substance was determined to be 100 % miscible with water by visual observation.

supporting information: Taminco-2017

Water solubility of N-Butylpyrrolidone was investigated experimentally. For this purpose, water and N-Butylpyrrolidone were mixed in various ratios, miscibility was cheched visually. Revealed result: Test compound is fully miscilbe in water, from 0 to 100 %.