Registration Dossier
Registration Dossier
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EC number: 265-747-9 | CAS number: 65405-84-7
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- December 2nd, 2014 to April 22nd, 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Principles of method if other than guideline:
- The samples were not centrifuged after sampling. As the test mixture replicates were stirred not turbulent, this centrifugation step was not deemed necessary.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Remarks:
- with slow stirring approach at 20 ± 0.5 °C.
Test material
- Reference substance name:
- α,2,6,6-tetramethyl-2-cyclohexene-1-butyraldehyde
- EC Number:
- 277-458-5
- EC Name:
- α,2,6,6-tetramethyl-2-cyclohexene-1-butyraldehyde
- Cas Number:
- 73398-85-3
- Molecular formula:
- C14H24O
- IUPAC Name:
- 2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanal
- Reference substance name:
- α,2,6,6-tetramethylcyclohexene-1-butyraldehyde
- EC Number:
- 282-993-2
- EC Name:
- α,2,6,6-tetramethylcyclohexene-1-butyraldehyde
- Cas Number:
- 84518-22-9
- Molecular formula:
- C14H24O
- IUPAC Name:
- 2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)butanal
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Test material name (as stated in the report): Cetonal
Batch No.: SC00011028
Expiry date: 23 June, 2016
Results and discussion
Water solubility
- Key result
- Water solubility:
- 4.63 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 7
Applicant's summary and conclusion
- Conclusions:
- The water solubility of CETONAL was determined to be: 4.63 mg/L (20 °C, pH 7) in the test conditions.
- Executive summary:
The water solubility of CETONAL (batch: SC00011028) was determined according to OECD guideline 105 (1995) and Council Regulation (EC) No. 440/2008, Method A.6 from 2015-04-17 to 2015-04-22 at Dr.U.Noack-Laboratorien, 31157 Sarstedt, Germany.
The solubility of the test item in double distilled water was determined employing the flask method with slow stirring approach at 20 ± 0.5 °C.
The analytical method (UPLC-MS/MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The water solubility of CETONAL was determined to be: 4.63 mg/L (20 °C, pH 7)
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