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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
key study
Study period:
2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
KOWWIN estimates the logarithmic octanol-water partition coefficient of organic compounds. KOWWIN uses a "fragment constant" method.
- the query chemical is an organic compound
- the number of each fragment found in the query chemical does not exceed the maximum number of this fragment that occurs in any individual compound of the training set
- the molecular weight (MW) of the query chemical (118.13) falls in the MW range of the training set of chemicals: 18.02-719.92

Data source

Reference
Title:
KOWWIN
Year:
2010
Bibliographic source:
KOWWIN v1.68

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Guidance on information requirements and chemical safety assessments R.6 May 2008

Test material

1
Chemical structure
Reference substance name:
Methyl 3-methoxypropionate
EC Number:
223-358-1
EC Name:
Methyl 3-methoxypropionate
Cas Number:
3852-09-3
Molecular formula:
C5H10O3
IUPAC Name:
methyl 3-methoxypropanoate

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
0.1
Remarks on result:
other: QSAR result

Applicant's summary and conclusion