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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Meylan, W. et al, Environ. Sci. Technol., 1992, 26, 1560-1567
GLP compliance:
no
Type of method:
other: Predicted log Koc for cyclohexanol using the program KOCWIN v2.0, EPI Suite v4.10
Media:
soil
Specific details on test material used for the study:
Smiles: OC(CCCC1)C1
Computational methods:
Predicted log Koc for cyclohexanol using the program KOCWIN v2.0, EPI Suite v4.10
Key result
Type:
Koc
Value:
11.25 dimensionless
Remarks on result:
other: QSAR predicted value
Type:
log Koc
Value:
1.051 dimensionless
Remarks on result:
other: QSAR predicted value

KOCWIN, Molecular Connectivity Index (MCI) model v2.00 predicted that cyclohexanol has a log Koc = 1.0511

Conclusions:
The substance falls within the QSAR applicability domain. The prediction is not considered reliable without further information demonstrating a good prediction for a structural analogue. The prediction for cyclohexanol is considered to be adequate for the purposes of environmental exposure assessment
Executive summary:

The Koc of cyclohexanol was predicted with the software tool KOCWIN, Molecular Connectivity Index (MCI) model v2.00. The substance falls within the QSAR applicability domain. The predicted Koc of cyclohexanol was 11.25. The log Koc =1.0511.

Description of key information

Adsorption to the solid phase of soil or sediment is not expected.

Key value for chemical safety assessment

Koc at 20 °C:
11.25

Additional information

The experimental octanol-water partition coefficient (Log Kow = 1.25) indicates that the substance has a low potential for adsorption (Log Kow < 3). The predicted Koc of 11.25 L/kg for cyclohexanol (log Koc =1.0511) was used in the environmental risk assessment calculations.