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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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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 for cross-reference:
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]