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Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model.
Qualifier:
according to
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Details on test conditions:
For further detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables" and attached model background information in "Overall remarks, attachments".
Type:
Koc
Value:
17.95 L/kg
Temp.:
25 °C
Remarks on result:
other: estimation based on log Kow
Type:
log Koc
Value:
1.254 dimensionless
Temp.:
25 °C
Remarks on result:
other: estimation based on log Kow
Details on results (Batch equilibrium method):
For detailed description on on the prediction see "Any other information on results".

KOCWIN Program (v2.00) Results:

==============================

Koc Estimate from Log Kow:

-------------------------

Log Kow (Kowwin estimate) ......................... : 2.41

Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 2.2581

Fragment Correction(s):

2  Aliphatic Alcohol (-C-OH) ........... : -0.8229

2  Ether, aliphatic (-C-O-C-) .......... : -0.1812

Corrected Log Koc .................................. : 1.2541

 

Estimated Koc: 17.95 L/kg  <===========

Conclusions:
The substance fits in the applicability domain of the model. The prediction is valid and can be used for classification and risk assessment
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model.
Qualifier:
according to
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Details on test conditions:
For further detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables" and attached model background information in "Overall remarks, attachments".
Type:
Koc
Value:
103.2 L/kg
Temp.:
25 °C
Remarks on result:
other: estimation based on MCI
Type:
log Koc
Value:
2.014 dimensionless
Temp.:
25 °C
Remarks on result:
other: estimation based on MCI
Details on results (Batch equilibrium method):
For detailed description on on the prediction see "Any other information on results".

KOCWIN Program (v2.00) Results:

==============================

Koc Estimate from MCI:

---------------------

First Order Molecular Connectivity Index ........... : 11.113

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 6.3928

Fragment Correction(s):

2  Aliphatic Alcohol (-C-OH) ........... : -2.6358

2  Ether, aliphatic (-C-O-C-) .......... : -1.7432

Corrected Log Koc .................................. : 2.0138

 

Estimated Koc: 103.2 L/kg  <===========

Conclusions:
The substance fits in the applicability domain of the model. The prediction is valid and can be used for classification and risk assessment
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model.
Qualifier:
according to
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Details on test conditions:
For further detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables" and attached model background information in "Overall remarks, attachments".
Type:
Koc
Value:
0.49 L/kg
Temp.:
25 °C
Remarks on result:
other: estimation based on log Kow
Type:
log Koc
Value:
-0.31 dimensionless
Temp.:
25 °C
Remarks on result:
other: estimation based on log Kow
Details on results (Batch equilibrium method):
For detailed description on on the prediction see "Any other information on results".

KOCWIN Program (v2.00) Results:

==============================

Koc Estimate from Log Kow:

-------------------------

Log Kow (Kowwin estimate) ......................... : -0.09

Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 0.8753

Fragment Correction(s):

2  Aliphatic Alcohol (-C-OH) ........... : -0.8229

4  Ether, aliphatic (-C-O-C-) .......... : -0.3624

Corrected Log Koc .................................. : -0.3100

 

Estimated Koc: 0.4898 L/kg  <===========

Conclusions:
The substance does not completely fit in the applicability domain of the model as the Log Kow is too low and the maximum number of instances are exceeded. Therefore, the results have to be treated with caution.
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model.
Qualifier:
according to
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Details on test conditions:
For further detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables" and attached model background information in "Overall remarks, attachments".
Type:
Koc
Value:
956.1 L/kg
Temp.:
25 °C
Remarks on result:
other: estimation based on MCI
Type:
log Koc
Value:
2.981 dimensionless
Temp.:
25 °C
Remarks on result:
other: estimation based on MCI
Details on results (Batch equilibrium method):
For detailed description on on the prediction see "Any other information on results".

KOCWIN Program (v2.00) Results:

==============================

Koc Estimate from MCI:

---------------------

First Order Molecular Connectivity Index ........... : 16.311

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 9.1027

Fragment Correction(s):

2  Aliphatic Alcohol (-C-OH) ........... : -2.6358

4  Ether, aliphatic (-C-O-C-) .......... : -3.4864

Corrected Log Koc .................................. : 2.9805

 

Estimated Koc: 956.1 L/kg  <===========

Conclusions:
The substance does not completely fit in the applicability domain of the model as the Log Kow is too low and the maximum number of instances are exceeded. Therefore, the results have to be treated with caution.
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model.
Qualifier:
according to
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Details on test conditions:
For further detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables" and attached model background information in "Overall remarks, attachments".
Type:
Koc
Value:
0.014 L/kg
Temp.:
25 °C
Remarks on result:
other: estimation based on log Kow
Type:
log Koc
Value:
-1.869 dimensionless
Temp.:
25 °C
Remarks on result:
other: estimation based on log Kow
Details on results (Batch equilibrium method):
For detailed description on on the prediction see "Any other information on results".

KOCWIN Program (v2.00) Results:

==============================

Koc Estimate from Log Kow:

-------------------------

Log Kow (Kowwin estimate) ......................... : -2.58

Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : -0.5020

Fragment Correction(s):

2  Aliphatic Alcohol (-C-OH) ........... : -0.8229

6  Ether, aliphatic (-C-O-C-) .......... : -0.5436

Corrected Log Koc .................................. : -1.8685

 

Estimated Koc: 0.01354 L/kg  <===========

Conclusions:
The substance does not completely fit in the applicability domain of the model as the Log Kow is too low and the maximum number of instances is exceeded. Therefore, the results have to be treated with caution.
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model.
Qualifier:
according to
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Details on test conditions:
For further detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables" and attached model background information in "Overall remarks, attachments".
Type:
Koc
Value:
8 856 L/kg
Temp.:
25 °C
Remarks on result:
other: estimation based on MCI
Type:
log Koc
Value:
3.947 dimensionless
Temp.:
25 °C
Remarks on result:
other: estimation based on MCI
Details on results (Batch equilibrium method):
For detailed description on on the prediction see "Any other information on results".

KOCWIN Program (v2.00) Results:

==============================

Koc Estimate from MCI:

---------------------

First Order Molecular Connectivity Index ........... : 21.509

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 11.8126

Fragment Correction(s):

2  Aliphatic Alcohol (-C-OH) ........... : -2.6358

6  Ether, aliphatic (-C-O-C-) .......... : -5.2296

Corrected Log Koc .................................. : 3.9472

 

Estimated Koc: 8856 L/kg  <===========

Conclusions:
The substance does not completely fit in the applicability domain of the model as the Log Kow is too low and the maximum number of instances are exceeded. Therefore, the results have to be treated with caution.

Description of key information

log Koc: 2.01 - 3.95 (KOCWIN v2.00) 

Key value for chemical safety assessment

Additional information

No experimental studies investigating the adsorption/desorption potential of the UVCB substance D-Glucopyranose, oligomeric, undecyl glycoside (CAS 98283-67-1) are available. Therefore, the adsorption/desorption indicator log Koc was calculated using KOCWIN v2.00 (EPI Suite) based on the Molecular Connectivity Index (MCI) as well as the log Kow. The QSAR calculations were conducted for the three main constituents. The log Koc values ranged between 2.01 and 3.95 (based on MCI). The log Koc values based on log Kow were calculated to be between -1.87 and 1.25. These values indicate a partial adsorption potential for at least one of the three constituents of the UVCB substance. However, QSAR results have to be regarded with caution as two of the three main constituents do not completely fit in the applicability domain of the model due to their low log Kow values (-2.58 and -0.09).

However, the substance is expected to be extensively eliminated in sewage treatment plants, due to ready biodegradability. In case of a release in the environment, it is expected to be rapidly degraded by microorganisms in both aquatic and terrestrial compartments.