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EC number: 201-140-7 | CAS number: 78-76-2
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 07 July 2016 - 05 January 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- 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
- Reference substance name:
- 2-bromobutane
- EC Number:
- 201-140-7
- EC Name:
- 2-bromobutane
- Cas Number:
- 78-76-2
- Molecular formula:
- C4H9Br
- IUPAC Name:
- 2-bromobutane
- Test material form:
- liquid
- Details on test material:
- - Name of test material (as cited in the report): JNJ-47961173-AAA
- Physical state: Liquid
- Colour: Colourless
Constituent 1
- Specific details on test material used for the study:
- - Source and lot/batch No.of test material: M15IB3251
- Expiration date of the lot/batch: 07 April 2017
- Purity: 100% (based on gas chromotographic purity)
- Storage condition of test material: At room temperature
Results and discussion
Water solubility
- Key result
- Water solubility:
- 0.106 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- >= 24 - <= 48 h
- Temp.:
- 20 °C
- pH:
- >= 2.5 - <= 2.8
- Remarks on result:
- other: 72-hour measurement was significantly lower than the 24- and 48- hour measurements possibly due to volatility of the test item
- Details on results:
- Preliminary test
The content of test item dissolved in the water sample was 750 mg/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%. Since the measurement at 72h was significantly lower compared to the previous measurements(possibly due to the volatility of the test item), the mean water solubility was calculated using only 24 and 48h measurements. The maximum difference of these concentrations was 10%. 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 | 0.100 | 0.106 | 10 | 2.8 |
| 48 | 0.111 | 2.5 | ||
| 72 | 0.0805 | 2.3 |
Applicant's summary and conclusion
- Conclusions:
- The flask method was applied for the determination of the water solubility of JNJ-47961173-AAA (2-bromobutane).
The water solubility of the test item at 20°C was 0.106 g/L.
The pH of the aqueous samples was 2.3 – 2.8.
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