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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: - | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Study period:
- July 2022
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- other: EPIWin calculation
- Title:
- Unnamed
- Year:
- 2 022
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Calculation of the log Pow of one constituent of the substance (presumed lowest molecular weight constituent C25H52)
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Pentacosane
- EC Number:
- 211-123-6
- EC Name:
- Pentacosane
- Cas Number:
- 629-99-2
- Molecular formula:
- C25H52
- IUPAC Name:
- Pentacosane
- Test material form:
- other: not applicable for in silico study
- Details on test material:
- not applicable for in silico study
Constituent 1
- Specific details on test material used for the study:
- in silico method, no further details relevant other than smiles notation of constituent
Study design
- Analytical method:
- other: in silico method/calculation
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 12.62
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: Temperature and pH by default
- Details on results:
- Test material is within the applicability domain with regard to the Validation set:
Fragment CH2: Test material 23; Validation set max. 28
Fragment CH3: Test material 2; Validation set max. 20
Applicant's summary and conclusion
- Conclusions:
- For the test material Pentacosane, which is regarded as representative for the lowest molecular weight constituent of the substance, a Log Pow of 12.62 has been calculated.
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.
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