Registration Dossier
Registration Dossier
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EC number: 223-069-0 | CAS number: 3720-16-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- May-July 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study, to GLP
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
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
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- celery ketone
- IUPAC Name:
- celery ketone
- Reference substance name:
- 3-methyl-5-propylcyclohex-2-enone
- EC Number:
- 223-069-0
- EC Name:
- 3-methyl-5-propylcyclohex-2-enone
- Cas Number:
- 3720-16-9
- Molecular formula:
- C10H16O
- IUPAC Name:
- 3-methyl-5-propylcyclohex-2-en-1-one
- Test material form:
- other: liquid
- Details on test material:
- - Name of test material (as cited in study report): 3-Methyl-5-propylcyclohex-2-enone
- Substance type: Pure active substance
- Physical state: Extremely pale yellow liquid
- Analytical purity: 99.9%
- Impurities (identity and concentrations): Not specified
- Composition of test material, percentage of components: 3-Methyl-5-propylcyclohex-2-enone 99.9%
- Isomers composition: Not applicable
- Purity test date: Not available
- Lot/batch No.: SC00005427
- Expiration date of the lot/batch: 16 December 2014
- Stability under test conditions: Not available
- Storage condition of test material: Room temperature, protect from light
Constituent 1
Constituent 2
Results and discussion
Water solubility
- Water solubility:
- 2.57 g/L
- Temp.:
- 20 °C
- pH:
- 5.4
- Remarks on result:
- other: This result corresponds to the saturation mass concentrations of Celery Ketone in purified water at 20 deg C.
- Details on results:
- The water solubility stated above was calculated by averaging the measured concentration after 24, 48 and 72 hours contact time with water. At the end of the test, the individual flask pHs were all 5.4. All individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guideline.
Any other information on results incl. tables
| Contact time (hours) | 24 | 48 | 72 | Average |
| Concentration (g/L) | 2.57 | 2.64 | 2.51 | 2.57 |
| pH | 5.4 | 5.4 | 5.4 | 5.4 |
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): soluble (1000-10000 mg/L)
The solubility of Celery Ketone in water at 20 deg C is 2.57 g/L. - Executive summary:
In an OECD guideline study (TG 105), conducted according to GLP, the solubility of Celery Ketone in water (at 20 deg C and using the flask method) was determined to be 2.57 g/L. Individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guideline.
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