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Adsorption / desorption

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Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
05 Apr - 19 Apr 1995
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Only short abstract available
Qualifier:
according to
Guideline:
other: draft EC test guideline
GLP compliance:
not specified
Type of method:
HPLC estimation method
Type:
log Koc
Value:
5
Remarks on result:
other: UV
Type:
log Koc
Value:
5.1
Remarks on result:
other: RI
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Type:
log Koc
Value:
4.95
Temp.:
25 °C
Remarks on result:
other: based on Kow method
Type:
Koc
Value:
88 700
Temp.:
25 °C
Remarks on result:
other: based on Kow method

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Type:
log Koc
Value:
4.16
Temp.:
25 °C
Remarks on result:
other: based on MCI
Type:
Koc
Value:
14 470
Temp.:
25 °C
Remarks on result:
other: based on MCI

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

log Koc: > 4 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

One study investigating the adsorption/desorption behaviour of 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate (CAS No. 28510-23-8) is available. As this study is not sufficient to assess the adsorption potential of the substance due to its scarce documentation, the adsorption potential of 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate is assessed in a weight-of -evidence approach using QSAR calculations in addition. The available non-GLP study was performed similar to EU method C.19. and estimated the log Koc by correlation with the retention time (Windeatt, 1995b). The log Koc value was determined to be 5.0 - 5.1. Using the KOCWIN program (v2.00), log Koc values of 4.95 and 4.16 were calculated, based on log Kow and on the molecular connectivity index, respectively (Hopp, 2011). Based on this information, it can be assumed that the adsorption potential of 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate is high.