Registration Dossier
Registration Dossier
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EC number: 201-219-6 | CAS number: 79-69-6
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- rel-(E)-4-((1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
- Cas Number:
- 599-45-1
- Molecular formula:
- C14H22O
- IUPAC Name:
- rel-(E)-4-((1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
- Reference substance name:
- rel-(E)-4-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
- Cas Number:
- 472-46-8
- Molecular formula:
- C14H22O
- IUPAC Name:
- rel-(E)-4-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
- Reference substance name:
- 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-
- Cas Number:
- 72074-84-1
- Molecular formula:
- C14H22O
- IUPAC Name:
- 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-
- Reference substance name:
- 3-Buten-2-one, 4-(2,2,3,6-tetramethyl-3-cyclohexen-1-yl)-, [1α(E),6α]-
- Cas Number:
- 140632-46-8
- Molecular formula:
- C14H22O
- IUPAC Name:
- 3-Buten-2-one, 4-(2,2,3,6-tetramethyl-3-cyclohexen-1-yl)-, [1α(E),6α]-
- Reference substance name:
- 4-Penten-2-one, 5-(1,3,4-trimethyl-3-cyclohexen-1-yl)-, (E)-
- Cas Number:
- 162282-94-2
- Molecular formula:
- C14H22O
- IUPAC Name:
- 4-Penten-2-one, 5-(1,3,4-trimethyl-3-cyclohexen-1-yl)-, (E)-
Constituent 1
Constituent 2
impurity 1
impurity 2
impurity 3
- Specific details on test material used for the study:
- Commercial Name: Irone Alpha
Givaudan Code No.: 66065003
Aspect: pale yellow to pale amber liquid
Lot No.: VE00466614
Expiration date: March 29, 2019
Results and discussion
Water solubility
- Water solubility:
- 32.5 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 7
Applicant's summary and conclusion
- Conclusions:
- The solubility of Irone Alpha in ultrapure water was determined according to the OECD Guideline No. 105 (flask method).
The result is: Solubility in water: 32.5 mg/l at 20 °C
This result corresponds to the saturation mass concentrations of Irone Alpha in ultrapure water at 20 °C.
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