Registration Dossier
Registration Dossier
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EC number: 601-161-5 | CAS number: 112110-16-4
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: accepted calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: model calculation report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- GLP compliance:
- no
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Dimethyl 5-methylpyridine-2,3-dicarboxylate
- EC Number:
- 601-161-5
- Cas Number:
- 112110-16-4
- Molecular formula:
- C10 H11 N O4
- IUPAC Name:
- Dimethyl 5-methylpyridine-2,3-dicarboxylate
- Details on test material:
- - SMILES (as cited in study report): COC(=O)c1cc(C)cnc1C(=O)OC
- Analytical purity: pure
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 0.71
- Temp.:
- 25 °C
Any other information on results incl. tables
Value derived from accepted calculation method. The data refers to the uncharged molecule.
Applicant's summary and conclusion
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.
