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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Adsorption / desorption

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Administrative data

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:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Data source

Reference
Reference Type:
other: QSAR prediction
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
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

Test material

Constituent 1
Chemical structure
Reference substance name:
Cyclohexanol
EC Number:
203-630-6
EC Name:
Cyclohexanol
Cas Number:
108-93-0
Molecular formula:
C6H12O
IUPAC Name:
cyclohexanol
Test material form:
not specified
Details on test material:
Supplier and purity not relevant for in silico study.
Specific details on test material used for the study:
Smiles: OC(CCCC1)C1

Study design

Batch equilibrium or other method

Computational methods:
Predicted log Koc for cyclohexanol using the program KOCWIN v2.0, EPI Suite v4.10

Results and discussion

Adsorption coefficientopen allclose all
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

Any other information on results incl. tables

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

Applicant's summary and conclusion

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.