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Environmental fate & pathways

Adsorption / desorption

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Administrative data

Endpoint:
adsorption / desorption, other
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017
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:
QSAR prediction

Data source

Reference
Reference Type:
other: QSAR online tool
Title:
bis{2-[2-(2-butoxyethoxy)ethoxy]ethyl} adipate
Author:
ACD/Lab Percepta
Year:
2017
Bibliographic source:
Available from ChemSpider database

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
In silico prediction.

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] adipate
EC Number:
265-807-4
EC Name:
Bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] adipate
Cas Number:
65520-46-9
Molecular formula:
C26H50O10
IUPAC Name:
bis{2-[2-(2-butoxyethoxy)ethoxy]ethyl} adipate
Test material form:
other: liquid
Radiolabelling:
no

Results and discussion

Adsorption coefficientopen allclose all
Key result
Sample No.:
#1
Type:
Koc
Value:
867.86 dimensionless
Remarks on result:
other: in silico prediction
Key result
Sample No.:
#1
Type:
log Koc
Value:
2.9
Remarks on result:
other: in silico prediction
Partition coefficients
Remarks on result:
not measured/tested

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
KOC: 867.86 (log Koc ~ 2.9)

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