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Adsorption / desorption

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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:
Study scientifically not necessary / other information available: In accordance with the Column 2 of REACH Annex VIII, the study does not need to be conducted if based on the physicochemical properties the substance can be expected to have a low potential for adsorption.
Reason / purpose:
data waiving: supporting information
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Internationally accepted calculation method, EPI-Suite EPA (USA).
Guideline:
other: REACH Guidance on QSARs
GLP compliance:
no
Remarks:
not applicable to QSAR models
Specific details on test material used for the study:
SMILES : CC(O[Si](OC(C)C(=O)OCC)(OC(C)C(=O)OCC)C=C)C(=O)OCC
Key result
Type:
Koc
Value:
ca. 23.1 L/kg
Remarks on result:
other: Kow method
Key result
Type:
log Koc
Value:
ca. 1.364 dimensionless
Remarks on result:
other: Kow method
Type:
Koc
Value:
ca. 40 140 L/kg
Remarks on result:
other: MCI method
Type:
log Koc
Value:
ca. 4.604 dimensionless
Remarks on result:
other: MCI method
Validity criteria fulfilled:
not applicable
Conclusions:
The estimated Koc value for the test substance based on Log Pow is Koc = 23.1 L/kg and the log Koc is 1.364 (EPI-Suite (KOCWIN, v2.0).
Executive summary:

The organic-normalized sorption coefficient for soil (soil adsorption, Koc) of the test substance was determined by calculation. This calculation was performed by the computer program from US-EPA (EPIWIN software KOCWIN v2.00). This tool uses two different models: the Salbjic molecular connectivity (MCI) method with improved correction factors and the traditional method which is based on the logarithmic octanol-water partition coefficient, Log Pow. For the test substance the traditional method gives a Koc of 23.1 L/kg and log Koc is 1.364, whereby the MCI method reveals a value of 40140 L/kg and a log Koc of 4.604 as result.

Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Internationally accepted calculation method, EPI-Suite EPA (USA).
Guideline:
other: REACH Guidance on QSARs
GLP compliance:
no
Remarks:
not applicable to QSAR models
Specific details on test material used for the study:
SMILES : O=C(OCC)C(O)C
Key result
Type:
Koc
Value:
ca. 2.231 L/kg
Remarks on result:
other: Kow method
Key result
Type:
log Koc
Value:
ca. 0.348 dimensionless
Remarks on result:
other: Kow method
Type:
Koc
Value:
ca. 1 L/kg
Remarks on result:
other: MCI method
Type:
log Koc
Value:
ca. 0 dimensionless
Remarks on result:
other: MCI method
Validity criteria fulfilled:
not applicable
Conclusions:
The estimated Koc value for ethyl lactate based on Log Pow is Koc = 2.231 L/kg and the log Koc is 0.348 (EPI-Suite (KOCWIN, v2.0).
Executive summary:

The organic-normalized sorption coefficient for soil (soil adsorption, Koc) of ethyl lactate was determined by calculation. This calculation was performed by the computer program from US-EPA (EPIWIN software KOCWIN v2.00). This tool uses two different models: the Salbjic molecular connectivity (MCI) method with improved correction factors and the traditional method which is based on the logarithmic octanol-water partition coefficient, Log Pow. For ethyl lactate the traditional method gives a Koc of 2.231 L/kg and the log Koc is 0.348, whereby the MCI method reveals a value of 1 L/kg and a log Koc of 0 as result.

Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Internationally accepted calculation method, EPI-Suite EPA (USA).
Guideline:
other: REACH Guidance on QSARs
GLP compliance:
no
Remarks:
not applicable to QSAR models
Specific details on test material used for the study:
SMILES : C=C[Si](O)(O)O
Key result
Type:
Koc
Value:
ca. 0.018 L/kg
Remarks on result:
other: Kow method
Type:
log Koc
Value:
ca. -1.745 dimensionless
Remarks on result:
other: Kow method
Type:
Koc
Value:
ca. 86.03 L/kg
Remarks on result:
other: MCI method
Type:
log Koc
Value:
ca. 1.935 dimensionless
Remarks on result:
other: MCI method
Validity criteria fulfilled:
not applicable
Conclusions:
The estimated Koc value for ethenylsilanetriol based on Log Pow is Koc = 0.01799 L/kg and log Koc is -1.745 (EPI-Suite (KOCWIN, v2.0).
Executive summary:

The organic-normalized sorption coefficient for soil (soil adsorption, Koc) of ethenylsilanetriol was determined by calculation. This calculation was performed by the computer program from US-EPA (EPIWIN software KOCWIN v2.00). This tool uses two different models: the Salbjic molecular connectivity (MCI) method with improved correction factors and the traditional method which is based on the logarithmic octanol-water partition coefficient, Log Pow. For ethenylsilanetriol the traditional method gives a Koc of 0.01799 L/kg and the log Koc is -1.745, whereby the MCI method reveals a value of 86.03 L/kg and a log Koc of 1.935 as result.

Description of key information

Data waiving: Study scientifically not necessary / other information available: In accordance with the Column 2 of REACH Annex VIII, the study does not need to be conducted if based on the physicochemical properties the substance can be expected to have a low potential for adsorption.

Supporting study: The estimated Koc value for the test substance based on Log Pow is 23.1 L/kg and the log Koc is 1.364 (EPI-Suite (KOCWIN, v2.0).

Supporting study: The estimated Koc value for ethyl lactate based on Log Pow is 2.231 L/kg and the log Koc is 0.348 (EPI-Suite (KOCWIN, v2.0).

Supporting study: The estimated Koc value for ethenylsilanetriol based on Log Pow is 0.01799 L/kg and log Koc is -1.745 (EPI-Suite (KOCWIN, v2.0).

Key value for chemical safety assessment

Koc at 20 °C:
23.1

Additional information

[LogKoc: 1.364]