2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

(Q)SAR

Adequacy of study:

key 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 adequate and reliable documentation / justification

Justification for type of information:

See attached QMRF/QPRF

Principles of method if other than guideline:

The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).

Key result

Sample No.:

#1

Type:

log Koc

Value:

6

Remarks on result:

other: 20 - 25°C

Conclusions:

A predicted log Koc value of 6.0 was determined using a validated predictive method. The result is considered to be reliable.

Description of key information

Adsorption / desorption: Very high adsorption predicted (QSAR).

Additional information

A predicted log Koc value of 6.0 was determined using a validated predictive method. The result is considered to be reliable.

Using expert judgement, the substance was found to fall in the applicability domain of the model as defined in the QMRF (PFA, 2014) because:

a.     The substance and prediction are just outside the applicability domain defined in Section 5.1 of the QMRF (Observed log K_oc = 1.09 – 5.26; Predicted log K_OC = 1.07 – 5.36; log K_ow = 2.6 – 8.2). In addition, no fluorinated compounds are in the training set. However, the prediction is considered sufficient to indicate that the K_oc is very high.

b.     The structural category of the substance is represented in the training set.

c.      No non-standard mechanisms affecting log K_oc are envisaged.

In addition, testing is considered technically not feasible due to the very low water solubility (1.3E-06 mg/l) and very high log Kow (9) of the substance.