Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Water solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
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 water sol is a well accepted model for estimation of water solubility
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR prediction
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
Water solubility:
0 mg/L
Temp.:
25 °C
Remarks on result:
other: QSAR prediction Ph is not relevant
Conclusions:
The water solubility for Fatty acids saturated and unsaturated ., isopentyl esters was estimated with QSARS for the main component C18:2.
The water solubility was found as 0.0000325 mg/L @25 °C.

Description of key information

The water  solubility was estimated with QSARS  (EPI suite ) for the  main component C18:2 and  found as 0.0000325 mg/L @25 °C

Key value for chemical safety assessment

Water solubility:
0 mg/L
at the temperature of:
25 °C

Additional information