Registration Dossier
Registration Dossier
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EC number: 242-039-8 | CAS number: 18156-15-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: KOWWIN v.1.68 (U.S. Environmental Protection Agency)
- Principles of method if other than guideline:
- The calculation of the octanol water partition coefficient (log Kow) was performed using KOWWIN v.1.68 (U.S. Environmental Protection Agency) on a personal computer running Windows 7. The struc-ture was entered into KOWWIN by SMILES notations. KOWWIN uses a "fragment constant" method-ology to predict log KOW. For a complete description of KOWWIN's methodology see W.M. Meylan and P.H. Howard, "Atom/Fragment Contribution Method for Estimating Octanol-Water Partition Coeffi-cients", Journal of Pharmaceutical Sciences, Vol. 84, No. 1, January 1995, p. 83 - 91.
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
Test material
- Reference substance name:
- 4-(chlorodimethylsilyl)butyronitrile
- EC Number:
- 242-039-8
- EC Name:
- 4-(chlorodimethylsilyl)butyronitrile
- Cas Number:
- 18156-15-5
- Molecular formula:
- C6H12ClNSi
- IUPAC Name:
- 4-[chloro(dimethyl)silyl]butanenitrile
- Test material form:
- liquid
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.49
- Temp.:
- 20 °C
- pH:
- 7
Applicant's summary and conclusion
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.
