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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Study period:
2016-06-02
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:
The result was determined by QSAR estimation with the programme EPI Suite using KOWWIN (LOGKOW) v1.65 that is recommended in the REACH Guidance on information requirements and chemical safety assessment (2008), Chapter R.6.1.8.5, thus the calculated value is reliable with restrictions.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Principles of method if other than guideline:
calcualtion by using KOWWIN (LOGKOW) program, version 1.65 by using EPIWIN software package (published and provided by US EPA and in cooperation with Syracuse Research Corp., New York, USA)
GLP compliance:
no
Type of method:
other: QSAR methode
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium propan-2-olate
EC Number:
211-673-7
EC Name:
Sodium propan-2-olate
Cas Number:
683-60-3
Molecular formula:
C3H8O.Na
IUPAC Name:
sodium propan-2-olate

Study design

Analytical method:
other: QSAR method

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. -2.272
Temp.:
25 °C
Remarks on result:
other: QSAR method
Details on results:
substance name: sodium propan-2--olate

Applicant's summary and conclusion

Conclusions:
the calculated result equates a log pow of -2.2716