Polysulfides, bis[3-(triethoxysilyl)propyl]

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 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:

3.16 dimensionless

Temp.:

20 °C

Remarks on result:

other: The predicted log Koc is for the substance based on the similar properties of its constituents, S2-S4.

The result is equal for constituents (S2-S4) and the name impurity (S5) of the substance. All constituents and impurities have similar structures and descriptor values.

Conclusions:

A log Koc value of 3.16 was predicted for the parent substance based on the similar properties of its constituents, using a validated QSAR method. The results are considered to be reliable.

Description of key information

Adsorption / desorption:

Parent substance, log K_oc: 3.16 (QSAR)

 

Silanol hydrolysis products, log K_oc: -2.58 (QSAR)

Key value for chemical safety assessment

Koc at 20 °C:

1 450

Additional information

A log K_oc value of 3.16 at 20°C was predicted for the parent substance using a validated QSAR method based on the similar structures and properties for the constituents (S2-S4) and the name impurity (S5) of the parent substance. The result is considered to be reliable and is selected as key.

 

The silanol hydrolysis product, bis[3-(trihydroxysilyl)propyl]polysulfides, has a predicted log K_oc of -2.58 at 20°C using a QSAR method. The result is reliable and sufficient to indicate a low log K_oc.