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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- 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
- Principles of method if other than guideline:
- QSAR calculation used
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation used
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
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.71
- Temp.:
- 25 °C
- pH:
- 1 - 10
- Remarks on result:
- other: QSAR calculation used
- Details on results:
- 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
Applicant's summary and conclusion
- Conclusions:
- The result was calculated by using QSAR software of log pow to 2.71
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