Reaction mass of 4-methyl-2-phenyl-3,6-dihydro-2H-pyran and 4-methyl-6-phenyl-3,6-dihydro-2H-pyran and 4-methylene-2-phenyltetrahydro-2H-pyran

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

25-09-2018 to 18-10-2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

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

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected: August 2018; signature: November 2018

Type of method:

flask method

Water solubility:

185 mg/L

Conc. based on:

test mat.

Incubation duration:

24 h

Temp.:

20 °C

pH:

7

Remarks on result:

other: Determination of C (shaken 24 hours at 30 ºC): Equilibrated at 20°C 24 hours

Water solubility:

195 mg/L

Conc. based on:

test mat.

Incubation duration:

48 h

Temp.:

20 °C

pH:

7

Remarks on result:

other: Determination of B (shaken 48 hours at 30 ºC): Equilibrated at 20°C 24 hours

Water solubility:

191 mg/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

20 °C

pH:

7

Remarks on result:

other: Determination of A (shaken 72 hours at 30 ºC): Equilibrated at 20°C 24 hours

Water solubility:

191 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

6

Remarks on result:

other: Mean concentration A/B/C: 191 mg/L at 20.0 ± 0.5°C

The preliminary estimate of the water solubility at 20.0 ± 0.5 °C was 141 mg/L. The solution had a pH of 7.0.

Conclusions:

Interpretation of results: moderately soluble (100-1000 mg/L)
The substance water solubility was determined to be 191 mg/L of solution at 20.0 ± 0.5 °C.

Executive summary:

The water solubility of the test item was determined using the flask method according to EU Method A.6 and OECD Method 105 under GLP. In the definitive test, mixtures of test item and purified water were added to three separate flasks. The mass of test item was measured and the 200mL volume of water added. The flasks were shaken at 200rpm and approximately 30°C for 72, 48 and 24 hours, respectively. Followed by static equilibration at 20°C for a period of 24 hours with occasional swirling. The solutions were centrifuged at 13000 rpm for 15 minutes and analysed. The pH of each solution was also measured. On completion of the equilibration period, the samples were visually observed to contain excess test item present at the bottom of the test vessels. The solutions were decanted, avoiding excess test item prior to centrifugation. After centrifugation, the supernatants were clear, colourless, free from un-dissolved test item and had no Tyndall beam effect. The water solubility of the test item was determined to be 191 mg/L of solution at 20.0 ± 0.5 °C and pH 7.0.

Description of key information

Water Solubility: 191 mg/L at 20 ± 0.5 °C and pH 7.0, EU Method A.6 – flask method, 2019

Key value for chemical safety assessment

Water solubility:

191 mg/L

at the temperature of:

20 °C

Additional information

Key Study : EU Method A.6, 2019 : The water solubility of the test item was determined using the flask method according to EU Method A.6 and OECD Method 105 under GLP. In the definitive test, mixtures of test item and purified water were added to three separate flasks. The mass of test item was measured and the 200mL volume of water added. The flasks were shaken at 200rpm and approximately 30°C for 72, 48 and 24 hours, respectively. Followed by static equilibration at 20°C for a period of 24 hours with occasional swirling. The solutions were centrifuged at 13000 rpm for 15 minutes and analysed. The pH of each solution was also measured. On completion of the equilibration period, the samples were visually observed to contain excess test item present at the bottom of the test vessels. The solutions were decanted, avoiding excess test item prior to centrifugation. After centrifugation, the supernatants were clear, colourless, free from un-dissolved test item and had no Tyndall beam effect. The water solubility of the test item was determined to be 191 mg/L of solution at 20.0 ± 0.5 °C and pH 7.0.