Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

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:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
no guideline required
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
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

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