(Z)-tetrahydro-6-(2-pentenyl)-2H-pyran-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:

18 March 2019 - 02 May 2019

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

Key result

Water solubility:

5.05 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 3.2 - <= 4

Remarks on result:

other: It must be stated that the results overall indicated that the test item is easily prone to hydrolysis.

Details on results:

As the test item is a liquid, the flask shaking test was performed.

Due to the definitive test samples indicating extensive hydrolysis, it was decided to modify the procedure and prepare additional samples with reduced contact times.
On completion of the equilibration period, the preliminary and definitive test samples were clear and colorless with no definite excess test item present. However, the additional samples did contain a definite excess of undissolved test item. The solutions were decanted, avoiding excess test item prior to centrifugation. After centrifugation, each supernatant was taken for analysis. Each supernatant was visually observed to be clear, colorless and free from undissolved test item.
For the additional samples, all three individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guidelines.
However, it must be stated that the results overall indicated that the test item is easily prone to hydrolysis.
As the test item contains an internal ester group (within the lactone ring), it was considered that the hydrolysis noted would most likely, be a ring-opening, ester-type hydrolysis reaction, yielding 5-hydroxy-dece-7-noic acid, which would be much more polar than the parent test item and therefore elute at or near the dead time.

The mean peakareas relating to the standard and sample solutions are shown in the following table:

Table 3

Solution	Mean PeakArea
Standard 507 mg/L	4.6313 x 10^6
Standard 512 mg/L	4.6751 x 10^6
Matrix blank	None detected
Sample 1A	5.5777 x 10^6
Sample 1B	5.5348 x 10^6
Sample 2A	3.9727 x 10^6
Sample 2B	4.0241 x 10^6
Sample 3A	3.8067 x 10^6
Sample 3B	3.8195 x 10^6

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Table 4

Sample Number	Time Shaken at ~ 30 ºC (hours)	Concentration (g/L)	Solution pH
1	24	1.22	3.2
2	48	0.875	3.1
3	72	0.834	3.1

Note: All three samples indicated extensive amounts of hydrolysis product in the samples.

Additional Testing

The mean peakareas relating to the standard and sample solutions are shown in the following table:

Table 5

Solution	Mean PeakArea
Standard 486 mg/L	4.4141 x 10^6
Standard 486 mg/L	4.4681 x 10^6
Matrix blank	None detected
Sample 1RA	2.2976 x 10^6
Sample 1RB	2.2736 x 10^6
Sample 2RA	2.3257 x 10^6
Sample 2RB	2.2918 x 10^6
Sample 3RA	2.3299 x 10^6
Sample 3RB	2.3350 x 10^6

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Table 6

Sample Number	Time Shaken at ~ 30 ºC (hours)	Time Equilibratedat 20ºC (hours)	Concentration (g/L)	Solution pH
1R	3	1	5.00	3.8
2R	2	1	5.05	4.0
3R	1	1	5.11	4.0

Mean concentration:                         5.05 g/L at 20.0 ± 0.5 ºC
Range:                                               5.00 to 5.11 g/L
Standard Deviation:                           5.15 x 10^-2g/L
Relative Standard Deviation:             1.02%

Also, all three samples indicated minimal amounts of hydrolysis product in the samples.

However, it must be stated that the results overall indicated that the test item is easily prone to hydrolysis.

Conclusions:

The water solubility of the test item has been determined to be 5.05 g/L of solution at 20.0 ± 0.5 °C.
However, it must be stated that the results overall indicated that the test item is easily prone to hydrolysis.

Description of key information

The water solubility of the test item has been determined to be 5.05 g/L of solution at 20.0 ± 0.5°C.

However, it must be stated that the results overall indicated that the test item is easily prone to hydrolysis.

Key value for chemical safety assessment

Water solubility:

5.05 g/L

at the temperature of:

20 °C

Additional information

The determination of water solubility of Jasminlactone was carried out by the flask method. The procedure was designed to be compatible with the EC Method A.6 and the OECD test guideline 105, and was conducted in compliance with GLP.

 

The water solubility of the test item has been determined to be 5.05 g/L of solution at 20.0 ± 0.5°C. However, it must be stated that the results overall indicated that the test item is easily prone to hydrolysis.