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Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
08 July - 28 November 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guidelineopen allclose all
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

Test material

Constituent 1
Chemical structure
Reference substance name:
4-bromo-2,2-diphenylbutyric acid
EC Number:
253-648-3
EC Name:
4-bromo-2,2-diphenylbutyric acid
Cas Number:
37742-98-6
Molecular formula:
C16H15BrO2
IUPAC Name:
4-bromo-2,2-diphenylbutanoic acid
Test material form:
solid: particulate/powder
Details on test material:
- Name of test material (as cited in study report): JNJ-1580774-AAA (T000835)
- Physical state: solid powder
- Appearance: slight beige
Specific details on test material used for the study:
- Batch n°: I16BB1136
- Analytical purity: 99.3% (acid titration)
- Expiration date: 02 March 2017
- Storage condition: at room temperature

Results and discussion

Water solubility
Key result
Water solubility:
0.027 g/L
Conc. based on:
test mat. (dissolved fraction)
Remarks:
concentration analysed after centrifugation
Loading of aqueous phase:
0.228 g/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
>= 3.3 - <= 3.4
Details on results:
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.

A small response at the retention time of the test item was detected in the chromatogram of the pretreated sample from the blank water mixture. The contribution of the response to the samples was 0.25%.

Any other information on results incl. tables

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  0.0284 0.0272  7.21  3.4
 48  0.0268      3.4
 72  0.0265      3.3

Applicant's summary and conclusion

Conclusions:
The flask method was applied for the determination of the water solubility of JNJ-1580774-AAA (T000835).
The water solubility of the test item at 20°C was 0.0272 g/L.
The pH of the aqueous samples was 3.3 – 3.4.