2-hydroxy-3-(prop-2-enoyloxy)propyl 2-methyl-2-propylhexanoate

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 August 26, 2015 to September 10, 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

not specified

Type of method:

flask method

Specific details on test material used for the study:

Batch no.: lot # JBGJ0045R
Purity: 100% (UVCB)

Key result

Water solubility:

142 mg/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

20 °C

pH:

ca. 6

Remarks on result:

other: nominal loading of aqeous phase: 700 – 7000 mg/L

Details on results:

The average of the measurements of the days 1, 2 and 3 each were included in the calculation since the differences between the measured concentrations were below 15%. Dependency of the solubility from the nominal load was not noticed. Based on the results obtained, the water solubility of the test substance was 142 ± 16 mg/L at 20°C.

Conclusions:

Under the study conditions, the water solubility of the test substance was determined to be 142 ± 16 mg/L at 20°C (flask method).

Executive summary:

A study was conducted to determine the water solubility of the test substance, according to OECD guideline 105 and EU Method A.6. Since it was known from pre-test during validation, that water solubility was between 10 mg/L and 1 g/L, the preliminary study which was proposed in the EU-Guideline was not performed. Instead, a flask with nominal load 7 g/L was shaken for 2 days to test the filterability of the mixture. The nominal load of 7 g/L was chosen, because for the main test a maximum concentration of 7 g/L was planned. The mixture resulted in a clear solution after filtration and showed a concentration of 119 mg/L. Therefore, the flask method was used. The value which was detected in the preliminary study was used to calculate the amount of test substance which is necessary to saturate 1000 mL as at least 595 mg (in the guideline, fivefold saturation is proposed). In order to check if the solubility was depending on the nominal load, seven vessels with nominal loads between 700 – 7000 mg/L were used. 35.0– 800.3 mg test substance were weighed into each vessel, 50 - 200 mL water were added, and the sealed flasks were put on the orbital shaker for 24, 48 and 72h (20.0 ± 0.5°C). Then, flasks were taken from the shaker, samples were taken, then filtered and measured after sample preparation via HPLC. The average of the measurements of the Days 1, 2 and 3 each were included in the calculation since the differences between the measured concentrations were below 15%.Dependency of the solubility from the nominal load was not noticed. Under the study conditions, the water solubility of the test substance was determined to be 142 ± 16 mg/L at 20°C (Brinkmann, 2015).

Description of key information

The water solubility was determined according to OECD guideline 105 and EU Method A.6 (flask method) (Brinkmann, 2015)

Key value for chemical safety assessment

Water solubility:

142 mg/L

at the temperature of:

20 °C