(1RS,4Z,8E,12RS)-13-oxabicyclo[10.1.0]trideca-4,8-diene

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

23-07-2019 to 06-12-2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Guideline study performed under GLP. All relevant validity criteria were met.

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

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Specific details on test material used for the study:

- Physical state: Liquid
- Storage condition of test material: In refrigerator (2-8°C) protected from light container flushed with nitrogen
- Other: colourless liquid

Water solubility:

204 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 6.5 - <= 6.9

Remarks on result:

other: mean 24, 48 and 72 hours

Preliminary test:

Test item was stirred at 300 rpm with double distilled water at a nominal concentration of 112 mg/L at 20.0 ± 0.1°C for 22 hours. After stirring, the water phase was centrifuged, treated and analysed. The centrifugation method was checked and was found to be insufficient to remove all undissolved test item. The water solubility was 86 mg/L.

 

Definitive test – Flask Method:

The solubility of the test item in double distilled water (and Milli-Q water) was determined to be 204 mg/L at 20 ± 0.5 °C and pH 6.7.

The water solubility was respectively at:

24 h: 206 mg/L (pH 6.8)

48 h: 196 mg/L (pH 6.9)

72 h: 210 mg/L (pH 6.5)

Mean: 204 mg/L and maximum difference 24, 48, 72 hours: 6.9%

Conclusions:

Interpretation of results: moderately soluble (100-1000 mg/L)
The test item water solubility was determined to be 204 mg/L at pH 6.5 - 6.9 and 20.0 °C.

Executive summary:

The water solubility of the test item was determined according to the flask method of OECD Method 105 and EU Method A.6 in accordance with GLP. The solubility of the test item in double distilled (and Milli-Q purified) water was determined employing the flask method at 20 ± 0.5 °C with incubation at test temperature for at least 24 h before the first sampling. The analytical method (UPLC-MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The mean water solubility in double distilled (and Milli-Q purified) water of the test item was determined to be 204 mg/L at pH 6.7 and 20 ± 0.1°C.

Description of key information

Water Solubility: 204 mg/L at pH 6.7 and 20 °C, OECD TG 105 : flask method, 2020

Key value for chemical safety assessment

Water solubility:

204 mg/L

at the temperature of:

20 °C

Additional information

Key study : OECD TG 105, 2020 : The water solubility of the test item was determined according to the flask method of OECD Method 105 and EU Method A.6 in accordance with GLP. The solubility of the test item in double distilled (and Milli-Q purified) water was determined employing the flask method at 20 ± 0.5 °C with incubation at test temperature for at least 24 h before the first sampling. The analytical method (UPLC-MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The mean water solubility in double distilled (and Milli-Q purified) water of the test item was determined to be 204 mg/L at pH 6.7 and 20 ± 0.1°C.