2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

no data

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Insufficient documentation for an assessment of reliability.

GLP compliance:

not specified

Specific details on test material used for the study:

no data

Water solubility:

0.26 g/L

Conclusions:

The water solubility of the substance was determined to be 260 mg/L, so moderately soluble (100-1000 mg/L)

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

03 September - 15 December 2015

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

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

- Batch n°: M14IB5308
- Analytical purity: 99.6%
- Expiration date: 03 February 2016
- Storage condition: at room temperature

Key result

Water solubility:

ca. 0.144 g/L

Conc. based on:

test mat. (dissolved fraction)

Remarks:

concentration analysed after centrifugation

Loading of aqueous phase:

0.621 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 7 - <= 7.2

Details on results:

Preliminary test
The content of test item dissolved in the water sample was 0.111 g/L.

Main test
The results for the samples taken at 24, 48 and 72 hours are given in the table in the next section. The maximum difference (MD) of the concentrations determined in the 24, 48 and 72 hour test samples was ≤ 15%. Based on this, the water solubility of the test item is given as the mean value of the analysed concentrations.
The chromatogram of the blank water mixture showed a small response at the retention time of the test item. It was considered to partly derive from carry-over since smaller responses were also found in the analytical blanks. It was quantified extrapolating the calibration curve. As its contribution to the limit of quantification (LOQ, i.e. 0.02 mg/l) was 2% it was considered negligible.

The results for the samples taken at 24, 48 and 72 hours are given in the table underneath.

Stirring time (hours)	Analysed concentration (g/L)	Mean (g/L)	Maximum Difference (MD) (%)	pH
24	0.140	0.144	4.9	7.2
48	0.147			7.1
72	0.144			7.0

Conclusions:

The flask method was applied for the determination of the water solubility of JNJ-16479489-AAA (T001159).
The water solubility of the test item at 20°C was 0.144 g/L.
The pH of the aqueous samples was 7.0 – 7.2.

Description of key information

The water solubility of T001159 was determined in a GLP study performed according to the OECD Guideline 105, EU Method A.6 and EPA OPPTS 830.7840 (K1, Ciric, 2016) using the flask method and was determined to be 0.144 g/L at 20°C. The pH of the aqueous samples was 7.0 – 7.2.

Key value for chemical safety assessment

Water solubility:

0.144 g/L

at the temperature of:

20 °C

Additional information

A supporting K4 study (J&J PRD) reported a water solubility of 0.26 g/L.