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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Partition coefficient

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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: Scientifically acceptable method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2004

Materials and methods

Test guideline
Guideline:
other:
Type of method:
other: calculated
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Methyl acetoacetate
EC Number:
203-299-8
EC Name:
Methyl acetoacetate
Cas Number:
105-45-3
Molecular formula:
C5H8O3
IUPAC Name:
methyl 3-oxobutanoate
Details on test material:
- Name of test material (as cited in study report): Methylacetoacetate
- Analytical purity: pure

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-0.694
Temp.:
25 °C

Any other information on results incl. tables

Calculated using SRC KOWWIN v1.67, 16 Jul 2004

Applicant's summary and conclusion