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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
26 September 2015 - 21 January 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
column elution method
Specific details on test material used for the study:
Batch M14KB4863
Test item storage conditions: At room temperature
Stable under storage conditions until 10 November 2017 (retest date)
Key result
Water solubility:
6.7 µg/L
Conc. based on:
test mat. (dissolved fraction)
Temp.:
20 °C
pH:
8.1 - 8.3
Details on results:
Preliminary test
The content of test item dissolved in the water sample was below the limit of detection (LOD) which was determined to be 2 μg/L taking the dilution factor of the water sample (i.e. 2) into account.

Main test
The results for the samples taken at a flow rate of 12 and 24 mL/h 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 both flow rates was also ≤ 30%. Based on this, the water solubility of the test item is given as the mean value of these measurements.
The turbidity of the 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 a flow rate of 12 and 24 mL/h are given in the table underneath.

 Flow rate [mL/h] Mean [µg/L]  pH
 24  5.96  8.3
 12  7.43  8.1
Conclusions:
The column elution method was applied for the determination of the water solubility of JNJ-39453193-AAA (T003063).
The water solubility of the test item at 20°C was 6.70 μg/L.
The pH of the aqueous samples was 8.1 - 8.3.

Description of key information

The water solubility of T003063 was determined in a GLP study performed according to the OECD Guideline 105, EU Method A.6 and EPA OPPTS 830.7840 (Klimisch 1, Brekelmans, 2016) using the column elution method and was determined to be 6.7 µg/L at 20°C and pH 8.1 - 8.3.

Key value for chemical safety assessment

Water solubility:
6.7 µg/L
at the temperature of:
20 °C

Additional information