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Adsorption / desorption

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Endpoint:
adsorption / desorption, other
Remarks:
estimated by calculation
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 adequate and reliable documentation / justification
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Meylan, W., P.H. Howard and R.S. Boethling, "Molecular Topology/Fragment Contribution Method for Predicting Soil Sorption Coefficients", Environ. Sci. Technol. 26: 1560-7 (1992).
SRC.1991. Group Contribution Method for Predicting Soil Sorption Coefficients. William Meylan & Philip H. Howard, Syracuse Research Corporation (June 3, 1991). EPA Contract No. 68-D8-0117 (Work Assignment 2-19); SRC F0118-219.
Specific details on test material used for the study:
SMILES: CC(=O)O[Si](OC(=O)C)(OC(C)(C)C)OC(C)(C)C
Key result
Type:
Koc
Value:
48.95 L/kg
Remarks on result:
other: QSAR predicted value
Key result
Type:
log Koc
Value:
1.69 dimensionless
Remarks on result:
other: QSAR predicted value

KOCWIN predicted that diacetoxydi-tert-butoxysilane has a Koc of 48.95 L/kg and a log Koc of 1.69.

 

Validity criteria fulfilled:
not applicable
Conclusions:
The estimated soil adsorption coefficient is (KOCWIN v2.00, MCI method): Koc: 48.95 L/kg and Log Koc: 1.69.
Executive summary:

The estimated soil adsorption coefficient is (KOCWIN v2.00, MCI method): Koc: 48.95 L/kg and Log Koc: 1.69.

Endpoint:
adsorption / desorption: screening
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of this substance is related to this parameter
Justification for type of information:
JUSTIFICATION FOR DATA WAIVING
According to the column 2 of REACH Annex VIII, the study does not need to be conducted since the substance is expected to have low potential for adsorption based on the low octanol-water partition coefficient (log Kow < 3).
Reason / purpose for cross-reference:
data waiving: supporting information

Description of key information

Data waiving (study scientifically not necessary): According to the column 2 of REACH Annex VIII, the study does not need to be conducted since the substance is expected to have low potential for adsorption based on the low octanol-water partition coefficient (log Kow < 3).

Supporting study: KOCWIN v2.00, MCI method. Soil adsorption of diacetoxydi-tert-butoxysilane was estimated to be: Koc = 48.95 L/kg and Log Koc = 1.69.

Key value for chemical safety assessment

Koc at 20 °C:
48.95

Additional information

Data waiving (study scientifically not necessary): According to the column 2 of REACH Annex VIII, the study does not need to be conducted since the substance is expected to have low potential for adsorption based on the low octanol-water partition coefficient (log Kow < 3).

Supporting study: Soil adsorption for diacetoxydi-tert-butoxysilane was estimated by KOCWIN v2.00, MCI method and was determined to be: Koc = 48.95 L/kg and Log Koc = 1.69.

[LogKoc: 1.69]