Registration Dossier
Registration Dossier
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EC number: 236-885-7 | CAS number: 13532-94-0
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- March 12, 2018
- Reliability:
- 2 (reliable with restrictions)
- 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
- Justification for type of information:
- 1. SOFTWARE
EPI Suite v4.11 (released in November 2012)
2. MODEL (incl. version number)
WSKOWWIN v1.42
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCOCCOC(=O)C(C)=C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See QSAR Model Reporting Format (QMRF) attached.
5. APPLICABILITY DOMAIN
See QSAR Prediction Reporting Format (QPRF) attached.
6. ADEQUACY OF THE RESULT
See QSAR Prediction Reporting Format (QPRF) attached. - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Software tool(s) used including version:
EPI Suite v4.11 (released in November 2012)
- Model(s) used: WSKOWWIN v1.42 - GLP compliance:
- no
- Type of method:
- other: Estimation method
- Key result
- Water solubility:
- 1 007 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: WSKOWWIN v1.42 estimate
- Conclusions:
- 2-Butoxyethyl methacrylate was estimated to have a water solubility of 1007 mg/L at 25 °C by the WSKOWWIN v1.42 model in Epi Suite v4.11.
- Executive summary:
The water solubility of 2-butoxyethyl methacrylate was estimated in the WSKOWWIN v1.42 model within EPI Suite v4.11. WSKOWWIN obtains an experimental value for the n-octanol/water partition coefficient (Kow) if available within the model database or provides an estimate for Kow using the KOWWIN™ v1.68 program. The Kow is then used to estimate water solubility as part of Equation 19 and 20, which are described in Meylan and Howard (1994): Upgrade of PCGEMS Water Solubility Estimation Method (May 1994) and in Meylan and Howard (1994): Validation of Water Solubility Estimation Methods Using Log Kow for Application in PCGEMS & EPI. 2-Butoxyethyl methacrylate had a water solubility of 1007 mg/L at 25 °C, which can be regarded as moderately soluble to soluble.
Reference
Description of key information
According to the WSKOWWIN v1.42 model (EPI Suite v4.11), the water solubility of 2-butoxyethyl methacrylate has been estimated to be 1007 mg/L at 25 °C. The registered substance can subsequently be regarded as moderately soluble to soluble.
Key value for chemical safety assessment
- Water solubility:
- 1 007 mg/L
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
