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Registration Dossier
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EC number: 308-766-0 | CAS number: 98283-67-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- 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
- 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".
- 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
- 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".
- 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
- 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".
- 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
- 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".
- 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
- 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".
- 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
- 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".
- 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.
Referenceopen allclose all
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 <===========
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 <===========
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 <===========
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 <===========
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 <===========
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 <===========
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
