Registration Dossier
Registration Dossier
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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: 217-940-4 | CAS number: 2014-83-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 21.02.2018
- 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
2. MODEL (incl. version number)
KOWWIN v1.68 estimate
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CLc(ccc1)c(c1CL)CCL
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Available in the KOWWIN Help, in section “Methodology” and "Estimation Accuracy & Domain".
Similar substances in the training set of the model:
2,6-Dichlorobenzylchloride, 2-Fluorobenzylchloride, 3-Fluorobenzylchloride,
5. APPLICABILITY DOMAIN
- Descriptor domain: Available in the KOWWIN Help, in section "Estimation Accuracy & Domain".
- Structural and mechanistic domains: Available in the KOWWIN Help, in section "Estimation Accuracy & Domain".
The KOWWIN results window lists the fragments (and their numbers) found in the target chemical. Appendix D of the KOWWIN Help
gives the maximum number of fragments that occur in any individual compound of the training set.
6. ADEQUACY OF THE RESULT
For the scope of the registration as an intermediate it is not required to make a new study on this endpoint. Together with data from
other sources and with data for similar substances the results of the method are valid and can be used for the classification and labelling
(eco-tox-section) and for risk assessment.
Data source
Materials and methods
Test guideline
- Guideline:
- other: EpiSuite
- Version / remarks:
- V4.11
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 4.08
Applicant's summary and conclusion
- Conclusions:
- Calculated logPow is 4.08.
- Executive summary:
Calculated logPow is 4.08.
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.
