Bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] adipate

Adsorption / desorption

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

Test material information

Constituent 1

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:

1,6-bis({2-[2-(2-butoxyethoxy)ethoxy]ethyl}) hexanedioate

Test material form:

other: liquid

Radiolabelling:

no

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Key result

Sample No.:

#1

Type:

Koc

Value:

867.86 dimensionless

Remarks on result:

other: in silico prediction

Adsorption coefficient 2

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)