cis-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Insufficient documentation for an assessment of reliability.

Reason / purpose for cross-reference:

reference to same study

Principles of method if other than guideline:

no data

GLP compliance:

not specified

Type of method:

other: no data

Water solubility:

< 0.005 other: g/100 mL solution

Details on results:

no data

Conclusions:

The water solubility of T001095 was determined to be < 0.005 g/100mL.

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22 November 2016 - 06 February 2017

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:

column elution method

Specific details on test material used for the study:

- Batch n°: I15DB1648
- Expiration date: 19 April 2020
- Purity: 96.70% (based on chromatographic purity)
- Storage condition of test material: at room temperature

Key result

Water solubility:

0.012 mg/L

Conc. based on:

test mat. (dissolved fraction)

Remarks:

concentration analysed after centrifugation

Temp.:

20 °C

pH:

>= 6.2 - <= 7.9

Details on results:

Preliminary test
The content of test item dissolved in the water sample was <10^-2 mg/L.

Main test
The results for the samples taken at 6, 12 and 24 hours are given in the table in the next section.
The coefficient of variation (CV) (n = 10) was ≤ 30% at both flow rates. It demonstrated that the system was equilibrated at all flow rates.
The maximum difference (MD) on the mean values of the samples at flow rate 6 and 24 mL/hour (repeated) was ≤ 30%. Based on this, the water solubility of the test item is given as the mean value of the analysed concentrations which equals 0.012 mg/L. In order to show that the test item was still on the column, column material was tested.
The turbidity of the relevant eluates was < 0.2 NTU. According to this, no undissolved particles were detected in the eluates.
No test item was detected in the samples from the blank column.

The results for the samples taken at 6, 12 and 24 hours are given in the table underneath.

Flow rate (ml/h)	Mean concentration (mg/l)^1	CV (%)	Mean (mg/l)	MD (%)	pH
24	0.0431	11.23	0.0345²	49.85	6.2
12	0.0259	23.51	0.0193³	67.86	7.9
6	0.013^4	11.12	0.012^5	14.69	6.5
24	0.011^4	2.92			6.9

1: Mean of the concentrations obtained at one flow rate.

2: Mean of the concentrations obtained at flow rates 24 and 12 mL/hour.

3: Mean of the concentrations obtained at flow rates 12 and 6 mL/hour.  

4: Estimated value. Calculated by extrapolation of the calibration curve.

5: Mean of the concentrations obtained at flow rates 6 and 24 mL/hour.

Conclusions:

The column elution method was applied for the determination of the water solubility of JNJ-16479671-AAA (T001095).
The water solubility of the test item at 20°C was 0.012 mg/L.
The pH of the aqueous samples was 6.2 – 7.9.

Description of key information

The water solubility of T001095 was determined in a GLP study performed according to the OECD Guideline 105, EU Method A.6 and EPA OPPTS 830.7840 (Klimisch 1, Ciric, 2017) using the column elution method and was determined to be 0.012 mg/L at 20°C and pH 6.2 - 7.9.

Key value for chemical safety assessment

Water solubility:

0.012 mg/L

at the temperature of:

20 °C

Additional information

A supporting study (J&J PRD) with insufficient documentation, and therefore assigned as Klimisch 4 study, concluded that the water solubility of T001095 is < 0.005 g/100 mL solution.