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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2021
Reliability:
2 (reliable with restrictions)
Justification for type of information:
EPI suite log Ko/w v1.68 is a well accepted method for estimation of the partition coefficient.
Qualifier:
no guideline followed
Principles of method if other than guideline:
Estimating model US EPA ( EPI suite log ko/w v1.68)
GLP compliance:
no
Type of method:
other: QSAR
Specific details on test material used for the study:
-Name of the test material (as cited in the study report) C18:2 component of Fatty acids C16-C18 saturated and unsaturated, isopentyl esters.
Molecular formula ( if other than submission, substance): C23H42O2
Smiles notation ( if other than submission substance):O=C(OCCC(C)C)CCCCCCCC=CCC=CCCCCC
-Analytical purity: not applicable
Key result
Type:
log Pow
Partition coefficient:
ca. 9.6
Temp.:
25 °C
Remarks on result:
not measured/tested
Conclusions:
The partition coefficient was estimated as 9.6 @25 °C with EPI suite software

Description of key information

The partition coefficient was estimates   for the   main component (C18:2) of FA  C16-18 saturated and unsaturated., isopentyl esters with QSAR's ( EPI suite  EPA).


The  estimated value for C18:2 was: 9.6 @ 25 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
9.6
at the temperature of:
25 °C

Additional information