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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30 June 2017- 12 October 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

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 (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
1-((2-chlorophenyl)-N-methylcarbonimidoyl)cyclopentan-1-ol
EC Number:
641-894-8
Cas Number:
6740-87-0
Molecular formula:
C13H16ClNO
IUPAC Name:
1-((2-chlorophenyl)-N-methylcarbonimidoyl)cyclopentan-1-ol
Test material form:
solid
Specific details on test material used for the study:
- Batch n°: I17BB0589
- Analytical purity: 99.8%
- Expiration date: 12 February 2018 (retest date)
- Storage condition: In refrigerator (2-8°C) under argon

Results and discussion

Water solubility
Key result
Water solubility:
0.27 g/L
Conc. based on:
test mat. (dissolved fraction)
Remarks:
concentration analysed after centrifugation
Loading of aqueous phase:
2.68 g/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
>= 8.2 - <= 9.6
Details on results:
Preliminary test
The content of test item dissolved in the water sample was 0.265 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.
No test item was detected in the pretreated sample from the blank water mixture.

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  0.272 0.270  2.16  9.3
 48  0.271      9.6
 72  0.266      8.2

Applicant's summary and conclusion

Conclusions:
The flask method was applied for the determination of the water solubility of JNJ-54433041-AAA (T003641).
The water solubility of the test item at 20°C was 0.270 g/L.
The pH of the aqueous samples was 8.2 – 9.6.