Registration Dossier
Registration Dossier
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EC number: 222-264-8 | CAS number: 3398-33-2
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 06/12/2017-20/12/2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6 (following OCDE 105)
- Principles of method if other than guideline:
- Not required
- GLP compliance:
- not specified
- Other quality assurance:
- other: Not applicable
- Type of method:
- other: Not applicable
Test material
- Reference substance name:
- Undecenoic acid
- EC Number:
- 215-583-9
- EC Name:
- Undecenoic acid
- Cas Number:
- 1333-28-4
- Molecular formula:
- C11H20O2
- IUPAC Name:
- undec-2-enoic acid
Constituent 1
- Specific details on test material used for the study:
- SMILE : C=CCCCCCCCCC(=O)[O-].[Na+]
Results and discussion
Water solubility
- Key result
- Water solubility:
- ca. 58.4 mg/L
- Conc. based on:
- test mat.
- Remarks on result:
- other: QSAR predicted value
- Details on results:
- 95% confidence limits (mg test item.L-1) : 47.8 – 71.5
Applicant's summary and conclusion
- Executive summary:
The water solubility value anticipated following a water solubility study according to OECD guideline 105 is 58.4 mg/L at 25°C.
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