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EC number: 244-240-6 | CAS number: 21145-77-7
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1996
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
Test material
- Reference substance name:
- 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one
- EC Number:
- 244-240-6
- EC Name:
- 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one
- Cas Number:
- 21145-77-7
- Molecular formula:
- C18H26O
- IUPAC Name:
- 1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
- Details on test material:
- AHTN
- Name of test material (as cited in study report): 14C-AHTN
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Water solubility:
- 1.31
- Temp.:
- 25 °C
- pH:
- 5
- Remarks on result:
- other: Average water solubility (mg active/l) of 14C-AHTN after 7 days of equilibration.
- Water solubility:
- 1.22
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: Average water solubility (mg active/l) of 14C-AHTN after 7 days of equilibration.
- Water solubility:
- 1.22
- Temp.:
- 25 °C
- pH:
- 9
- Remarks on result:
- other: Average water solubility (mg active/l) of 14C-AHTN after 7 days of equilibration.
- Water solubility:
- 1.25 mg/L
- Temp.:
- 25 °C
- pH:
- > 5 - < 9
- Remarks on result:
- other: Overall average water solubility (mg active/L) of 14C-AHTN after 7 days of equilibration.
- Details on results:
- The average water solubility (+/- % relative standard deviation) of 14C-AHTN calculated after 7 days equilibration in pH buffer solutions of 5, 7, and 9 were 1.31 mg active/L +/-13.0%, 1.22 mg active/L +/-8.20%, and 1.22 mg active/L +/-14.8%, respectively, with an overall average water solubility of 1.25 mg active/L. pH did not seem to affect water solubility.
Any other information on results incl. tables
Table 1 Average Water Solubility (mg active/l). Average of three replicates for each pH/centrifuge speed.
| pH | 5 | 7 | 9 | |||||||
| Centrifuge speed | ||||||||||
| Sampling day | 0 | 5,000 | 10,000 | 0 | 5,000 | 10,000 | 0 | 5,000 | 10,000 | |
| 1 | 1.15 | 1.02 | 1.04 | 1.06 | 0.96 | 1.08 | 0.98 | 1.03 | 1.08 | |
| 2 | 1.17 | 1.12 | 1.30 | 1.11 | 1.14 | 1.07 | 1.15 | 1.18 | 1.31 | |
| 5 | 1.19 | 1.30 | 1.28 | 1.07 | 1.20 | 1.15 | 1.22 | 1.29 | 1.29 | |
| 7 | 1.44 | 1.32 | 1.18 | 1.24 | 1.19 | 1.22 | 1.33 | 1.29 | 1.06 | |
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility is determined to be 1.25 mg/l (at 25°C) and seemed independent on the pH. - Executive summary:
- A rough approx of water solubility was made by adding a series of masses of non-radiolabelled AHTN samples in deionised (DI) water and noting phase separation after overnight agitation. Using this procedure 10 mg active/l of (14)C-AHTN was estimated to be "well in excess" of the water solubility. The test apparatus consisted of 9 Teflon centrifuge tubes. AHTN was initially dissolved in ethanol (EtOH). The EtOH solution was added to tubes in volumes sufficient to deliver (14)C-AHTN in excess of the estimated water solubility (10 mg active/l). The EtOH was removed by evaporation, leaving the test material as tiny droplets on the bottom of the tubes. 3 buffer solutions (pH 5, 7 and 9) was added to triplicate tubes. Tubes were sealed and agitated overnight at 25°C. Agitation was ceased and water samples withdrawn from near bottom of tubes following 1 hour holding time, then following 30 min of centrifugation at 5,000 rpm (2,655 x g), and finally following 30 min of centrifugation at 10,000 rpm (10,620 x g). Concentration of test substance was determined by liquid scintillation counting. This procedure was repeated 2, 5, and 7 days after set-up. After 7 days of equilibration average water solubilities of (14)C-AHTN (±% relative standard deviation) were 1.31 mg active/l ±13.0%, 1.22 mg active/l ±8.20% and 1.22 mg active/l ±14.8% in pH buffers of pH 5, pH 7 and pH 9, respectively. pH of buffer solution did not appear to affect water solubility of (14)C-AHTN. Overall average water solubility was 1.25 mg active/l.
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