Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 811-590-1 | CAS number: 51756-09-3
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: (Q)SAR
- Title:
- Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 (EPIWEB 4.11)
- Author:
- United States Environmental Protection Agency, Washington, DC, USA.
- Year:
- 2 012
- Bibliographic source:
- WSKOW (v1.42) Program
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on (Q)SAR
- Principles of method if other than guideline:
- Meylan, W.M. P.H. Howard and R.S. Boethling. 1996. Improved method for estimating water solubility from octanol/water partition coefficient. Environ. Toxicol. Chem. 15: 100-106.
- Type of method:
- other: (Q)SAR
Test material
- Reference substance name:
- methyl 2-acetyl-4-methylpentanoate
- EC Number:
- 811-590-1
- Cas Number:
- 51756-09-3
- Molecular formula:
- C9H16O3
- IUPAC Name:
- methyl 2-acetyl-4-methylpentanoate
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 20 430 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: pH is estimated to be closed to 7
Any other information on results incl. tables
Water Sol from Kow (WSKOW v1.42) Results:
See attachment in Attached background material for more details.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results : soluble
Water Sol: 20430 mg/L
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