Registration Dossier
Registration Dossier
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EC number: 814-350-4 | CAS number: 1352917-66-8
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 12 Oct 2017 - 30 Nov 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Version / remarks:
- 1998
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
Test material
- Reference substance name:
- (2S)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium (2R)-(2-chlorophenyl)(hydroxy)acetate
- EC Number:
- 814-350-4
- Cas Number:
- 1352917-66-8
- Molecular formula:
- C22 H28 N Cl O4
- IUPAC Name:
- (2S)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium (2R)-(2-chlorophenyl)(hydroxy)acetate
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Appearance: White powder
- Storage condition of test material: At room temperature
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Key result
- Water solubility:
- 8.31 g/L
- Conc. based on:
- other: anionic part of the test item
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- >= 6.3 - <= 6.4
- Key result
- Water solubility:
- 8.57 g/L
- Conc. based on:
- other: cationic part of the test item
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- >= 6.3 - <= 6.4
- Details on results:
- Anionic part of the test item:
-Concentration analysed after 24, 48 and 72 hours of stirring: 8.65 g/L, 8.09 g/L and 8.19 g/L, resp.
-Maximum difference meets the criterion of ≤ 15% (i.e. 6.7%)
-The mean of the three concentrations was reported as the water solubility of the anionic part of the substance.
Cationic part of the test item:
-Concentration analysed after 24, 48 and 72 hours of stirring: 8.87 g/L, 8.30 g/L and 8.55 g/L, resp.
-Maximum difference meets the criterion of ≤ 15% (i.e. 6.7%)
-The mean of the three concentrations was reported as the water solubility of the cationic part of the substance.
Applicant's summary and conclusion
- Conclusions:
- The water solubility at 20°C was determined to be 8.31 g/L for the anionic part and 8.57 g/L for the cationic part of the substance.
- Executive summary:
The water solubility of the anionic and cationic part of the substance was determined using the flask method in a GLP study according to EC A.6, OECD 105 and OPPTS 830.7840. Quantification was performed by UPLC-UV. The pH of the aqueous samples was 6.3-6.4. From the measurements obtained after 24, 48 and 72 hours of stirring, the water solubility at 20°C was determined to be 8.31 g/L for the anionic part and 8.57 g/L for the cationic part of the substance.
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