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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
LogKoc is calculated from a EUSES equation based on the estimated logKow from QSAR, EpiSuite and SPARC calculations.
Qualifier:
no guideline followed
Principles of method if other than guideline:
LogKoc is calculated from a EUSES equation based on the estimated logKow from QSAR, EpiSuite and SPARC calculations.
GLP compliance:
no
Type of method:
other: Calculation
Media:
other: Organic carbon
Test temperature:
Room temperature.
Computational methods:
LogKoc is calculated from a EUSES equation based on the estimated logKow from QSAR, EpiSuite and SPARC calculations.
Key result
Sample No.:
#1
Type:
log Koc
Value:
> 4 dimensionless
pH:
7
Temp.:
20 °C
% Org. carbon:
100
Remarks on result:
other: Significant variations in the estimated logKOC are identified, as the values vary between 4.0 and up to 7.3. The definite values may not be fully reliable, but they all indicate a high adsorption potential. Therefore, the overall adsorption potential of
Validity criteria fulfilled:
yes
Conclusions:
Significant variations in the estimated logKOC are identified, as the values vary between 4.0 and up to 7.3. The definite values may not be fully reliable, but they all indicate a high adsorption potential.
Therefore, the overall adsorption potential of glycerol monobehenate is expected to be high with a
logKOC >4.0.
The available information together comprises sufficient reliable data to conclude a logKOC of the
substance > 4.0 based on a weight-of-Evidence approach. The information provides sufficient weight of evidence leading to an endpoint conclusion in accordance with Annex XI, 1.2, of Regulation (EC) No 1907/2006.
Executive summary:

Glycerol monobehenate is a mono constituent substance with a purity of 80-90%. Data on KOC are not available for Glycerol monobehenate.
No test data on adsorption-desorption behaviour of the substance and similar substances such as mono-, di- and triglycerides, fatty acids, are available. Therefore, various QSAR models were applied to estimate the logKOC. Three set of QSAR calculations were carried out using SPARC, EpiSuite, QSAR VEGA. In addition, a read-across to alcohol ethoxylates was carried out, with the argument that both substances are composed of a hydrophobic alkyl chain and then a hydrophilic group either being a number of ethoxylate-units (for alcohol ethoxylate) or the glyceryl (for the glycerol monobehenate).
Significant variations in the estimated logKOC are identified, as the values vary between 4.0 and up to 7.3. The definite values may not be fully reliable, but they all indicate a high adsorption potential.
Therefore, the overall adsorption potential of glycerol monobehenate is expected to be high with a logKOC >4.0.
The available information together comprises sufficient reliable data to conclude a logKOC of the substance > 4.0 based on a weight-of-Evidence approach. The information provides sufficient weight of evidence leading to an endpoint conclusion in accordance with Annex XI, 1.2, of Regulation (EC) No 1907/2006.

Description of key information

Glycerol monobehenate is a mono constituent substance with a purity of 80-90%. Data on KOC are not
available for Glycerol monobehenate.
No test data on adsorption-desorption behaviour of the substance and similar substances such as
mono-, di- and triglycerides, fatty acids, are available. Therefore, various QSAR models were applied to
estimate the logKOC. Three set of QSAR calculations were carried out using SPARC, EpiSuite, QSAR
VEGA. In addition, a read-across to alcohol ethoxylates was carried out, with the argument that both
substances are composed of a hydrophobic alkyl chain and then a hydrophilic group either being a
number of ethoxylate-units (for alcohol ethoxylate) or the glyceryl (for the glycerol monobehenate).
Significant variations in the estimated logKOC are identified, as the values vary between 4.0 and up to
7.3. The definite values may not be fully reliable, but they all indicate a high adsorption potential.
Therefore, the overall adsorption potential of glycerol monobehenate is expected to be high with a
logKOC >4.0.
The available information together comprises sufficient reliable data to conclude a logKOC of the
substance > 4.0 based on a weight-of-Evidence approach. The information provides sufficient weight of
evidence leading to an endpoint conclusion in accordance with Annex XI, 1.2, of Regulation (EC) No
1907/2006.

Key value for chemical safety assessment

Koc at 20 °C:
10 000

Additional information