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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 203-778-1 | CAS number: 110-56-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2016-06-02
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The result was determined by QSAR estimation with the programme EPI Suite using KOWWIN v.1.68 that is recommended in the REACH Guidance on information requirements and chemical safety assessment, Chapter R.6.1.8.5.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR method
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6 May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- The result was determined by QSAR estimation with the programme EPI Suite using KOWWIN v.1.68 that is recommended in the REACH Guidance on information requirements and chemical safety assessment, Chapter R.6.1.8.5.
- GLP compliance:
- no
- Type of method:
- other: (Q)SAR estimation
- Partition coefficient type:
- other: (Q)SAR
Test material
- Reference substance name:
- 1,4-dichlorobutane
- EC Number:
- 203-778-1
- EC Name:
- 1,4-dichlorobutane
- Cas Number:
- 110-56-5
- Molecular formula:
- C4H8Cl2
- IUPAC Name:
- 1,4-dichlorobutane
- Details on test material:
- - SMILES notation: CLCCCCCL
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 2.81
- Remarks on result:
- other: pH not reportable
- Details on results:
- The result was determined by QSAR estimation with the programme EPI Suite using KOWWIN v.1.68 that is recommended in the REACH Guidance on information requirements and chemical safety assessment, Chapter R.6.1.8.5.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient log Pow of 1,4-Dichlorobutane was calculated to be 2.81.
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.
