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EC number: 256-974-4 | CAS number: 51115-67-4
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- April 2017 - Novemeber 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline 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)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- 2-isopropyl-N,2,3-trimethylbutyramide
- EC Number:
- 256-974-4
- EC Name:
- 2-isopropyl-N,2,3-trimethylbutyramide
- Cas Number:
- 51115-67-4
- Molecular formula:
- C10H21NO
- IUPAC Name:
- 2-isopropyl-N,2,3-trimethylbutyramide
- Test material form:
- solid
Constituent 1
- Specific details on test material used for the study:
- Batch number: 80100005
Expiration date: 13 October 2018
Purity: 99.8%
Stored at Room temperature (nominally 15 to 25C), dark
Physical state/appearance: White solid
Results and discussion
Water solubility
- Key result
- Water solubility:
- 6.9 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 10 g/L
- Incubation duration:
- > 1 - < 3 d
- Temp.:
- 20 °C
- pH:
- > 7.5 - < 7.9
- Details on results:
- The detector calibration was found to be linear over the range 0 to 200 mg/L with a regression coefficient of 0.9999. There is a measured solubility of 6.9 ± 0.3 g/L, details are given in Table 1 below. An acceptable mean recovery of approximately 94% of WS-23 from fortified samples was achieved.
Any other information on results incl. tables
Table 1: Measurement of water solubility at 20°C
| Sample Number | Time (days) | Concentration (g/L) | Mean Concentration (g/L) | pH |
| 1A, 1B | 1 | 6.95, 6.85 | 6.90 | 7.9, 7.7 |
| 2A, 2B | 2 | 7.03, 6.31 | 6.67 | 7.6, 7.5 |
| 3A, 3B | 3 | 7.06, 6.93 | 7.00 | 7.5, 7.5 |
Water solubility = 6.86 +- 0.28 g/L (RSD = 4.1%)
Applicant's summary and conclusion
- Conclusions:
- The water solubility of WS-23 was determined to be 6.9 g/L at 20°C following the flask method and using High Performance Liquid Chromatography (HPLC).
- Executive summary:
The water solubility of WS-23 was determined to be 6.9 g/L at 20°C following the flask method and using High Performance Liquid Chromatography (HPLC).
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