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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Validated QSAR model. Calculation for Propylene glycol dioleate, however the component is outside of the domain of the training set (log Kow of the training set: -2.11-9.10; log Kow of the component: 16.11). Nevertheless, the value of the prediction will be used for risk assessment purposes, since a) there is currently no universally accepted definition of model domain, and b) since further measurements/testing would not result in additional knowledge for this substance.
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Type:
log Koc
Value:
9.003
Temp.:
25 °C
Remarks on result:
other: based on MCI
Type:
Koc
Value:
1 007 000 000
Temp.:
25 °C
Remarks on result:
other: based on MCI

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

logKoc: > 5 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No experimental studies investigating the adsorption/desorption potential of Propyleneglycol dioleate (CAS 105-62-4) are available. Therefore, the Koc was calculated using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) (Werth, 2014). The QSAR calculation resulted in a logKoc value of 9.0. The used QSAR model has no universally accepted definition of model domain, but since the substance is outside the Kow range of the training set of the MCI model, the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential, which is also to be expected based on the high Kow (> 10) and low water solubility.