Registration Dossier
Registration Dossier
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EC number: 251-311-5 | CAS number: 32961-44-7
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- flask method
Test material
- Reference substance name:
- Isobutyl 4-chloro-3,5-diaminobenzoate
- EC Number:
- 251-311-5
- EC Name:
- Isobutyl 4-chloro-3,5-diaminobenzoate
- Cas Number:
- 32961-44-7
- Molecular formula:
- C11H15ClN2O2
- IUPAC Name:
- 2-methylpropyl 3,5-diamino-4-chlorobenzoate
- Test material form:
- solid
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Key result
- Water solubility:
- 444.5 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 5.4
- Remarks on result:
- other: overall average
- Water solubility:
- 454.5 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 5.1
- Remarks on result:
- other: average of solubilities determined after 24h shaking
- Water solubility:
- 443.4 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 5.9
- Remarks on result:
- other: average of solubilities determined after 48h shaking
- Water solubility:
- 435.5 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 5.1
- Remarks on result:
- other: average of solubilities determined after 72h shaking
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results: moderately soluble (100-1000 mg/L)
The study was assessed to be of high quality and testing is expected to be reasonably performed. Hence, results can be considered reliable to determine the water solubility as 444.5 mg/L. - Executive summary:
The water solubility of isobutyl 4-chloro-3,5-diaminobenzoate was determined to be 444.5 mg/L at 20°C and pH 5.4 using the shake flask method according to OECD guideline 105.
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