Registration Dossier
Registration Dossier
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EC number: 212-042-9 | CAS number: 754-05-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- Episuite is a well known QSAR software package that is widely used and accepted by both industry and regulatory authorities.
Trimethylvinylsilane is considered to be inside the applicability domain of the EpiSuite WSKOW model since the following criteria are fulfilled (as described in the model's manual):
- The molecular weight of trimethylvinylsilane is within the molecular weight range of the training set
- Trimethylvinylsilane is within the log Kow range of the training set
- All functional groups present in trimethylvinylsilane are represented in the training set and have a fragment coefficient available
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- WSKOWWIN v.1.41
- Author:
- EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation.
- Year:
- 2 000
- Bibliographic source:
- http://www.epa.gov/opptintr/exposure/pubs/episuite.htm
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR calculation based on the "fragment constant" methodology.
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Trimethylvinylsilane
- EC Number:
- 212-042-9
- EC Name:
- Trimethylvinylsilane
- Cas Number:
- 754-05-2
- Molecular formula:
- C5H12Si
- IUPAC Name:
- trimethylvinylsilane
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.07
- Remarks on result:
- other: Note: Temperature and pH not applicable as it concerns a QSAR calculation.
Applicant's summary and conclusion
- Conclusions:
- Log Kow: 3.07
The partition coefficient was calculated by means of EpiSuite's WSKOW model. - Executive summary:
The partition coefficient was retrieved from EpiSuite's WSKOW model and the Log Kow found to be 3.07.
Trimethylvinylsilane is considered to be inside the applicability domain of the EpiSuite WSKOW model since the following criteria are fulfilled:
- The molecular weight of trimethylvinylsilane is within the molecular weight range of the training set.
- Trimethylvinylsilane is within the log Kow range of the training set.
- All functional groups present in trimethylvinylsilane are represented in the training set and have a fragment coefficient available.
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.
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