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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 610-959-2 | CAS number: 5309-16-0
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- QSAR calculation used
- Author:
- American Chemical Society (ACS)
- Year:
- 2 013
- Bibliographic source:
- Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other:
- Deviations:
- yes
- Remarks:
- QSAR software used
- GLP compliance:
- no
Test material
- Reference substance name:
- 4-(4-methoxyphenyl)cyclohexan-1-one
- EC Number:
- 610-959-2
- Cas Number:
- 5309-16-0
- Molecular formula:
- C13H16O2
- IUPAC Name:
- 4-(4-methoxyphenyl)cyclohexan-1-one
Constituent 1
Study design
Batch equilibrium or other method
- Analytical monitoring:
- no
- Computational methods:
- Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013
Results and discussion
Adsorption coefficient
- Type:
- Koc
- Value:
- 706.8
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR method used
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR software used to Koc 706.8.
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.
