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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 227-998-2 | CAS number: 6065-63-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Value estimated using KOWIN v1.68. MW of test substance is roughly eequal to the avetage molecular weight of the test substances use to validate the model.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Deviations:
- not applicable
- Principles of method if other than guideline:
- Estimated using KOWIN v1.68
- GLP compliance:
- no
- Type of method:
- other:
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Diethyl dipropylmalonate
- EC Number:
- 227-998-2
- EC Name:
- Diethyl dipropylmalonate
- Cas Number:
- 6065-63-0
- Molecular formula:
- C13H24O4
- IUPAC Name:
- 1,3-diethyl 2,2-dipropylpropanedioate
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. 3.73
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not specified
- Details on results:
- In general, KOWWIN makes log P estimates that are "corrected for ionization"; that is, KOWWIN estimates apply to compounds that are predominantly in a non-ionized form.
Applicant's summary and conclusion
- Conclusions:
- Log Kow = 3.73
- Executive summary:
Log Kow = 3.73
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.
