1-benzhydrylpiperazine

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22 January - 04 May 2016

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

Type of method:

flask method

Specific details on test material used for the study:

- Batch n°: M15BB1451
- Analytical purity: 98.8% (base titration)
- Expiration date: 30 January 2021
- Storage condition: at room temperature

Key result

Water solubility:

0.476 g/L

Conc. based on:

test mat. (dissolved fraction)

Loading of aqueous phase:

2.586 g/L

Incubation duration:

24 - 72 h

Temp.:

20 °C

pH:

9.4 - 9.5

Details on results:

Preliminary test:
The content of test item dissolved in the water sample after two centrifugation steps was 0.52 g/L. The concentration remained the same after the third centrifugation step.
Main study:
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.
Undissolved material was observed in the vessel of the blank water mixture. The blank water mixture was centrifuged, diluted and analysed. An extra blank sample of double distilled water was taken from the flask, diluted and analysed. No test item was detected in the pretreated sample from the blank water mixture and the extra blank sample.

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]	MD [%]	pH
24	0.463	0.476	7.0	9.5
48	0.496			9.4
72	0.469			9.5

Conclusions:

The flask method was applied for the determination of the water solubility of JNJ-130806-AAA (T000750).
The water solubility of the test item at 20°C was 0.476 g/L.
The pH of the aqueous samples was 9.4 – 9.5.

Reference 2

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.

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:

0.045 other: g/100 mL solution

Temp.:

20 °C

pH:

9.2

Details on results:

no data

Conclusions:

The water solubility was determined to be 0.045 g/100 mL at 20.0°C and a pH value of 9.2.

Description of key information

The water solubility of T000750 was determined in a GLP study performed according to the OECD Guideline 105, EU Method A.6 and EPA OPPTS 830.7840 (K1, Brekelmans, 2017) to be 0.476 g/L at 20°C and pH 9.4 -9.5.

Key value for chemical safety assessment

Water solubility:

0.476 g/L

at the temperature of:

20 °C

Additional information

A study for which the reliability was not assignable (K4, J&J PRD) concluded that the water solubility of T000750 is 0.45 g/L which is similar to the result of the key study. This study is considered as supporting study.