Registration Dossier

Environmental fate & pathways

Adsorption / desorption

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Administrative data

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
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

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

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material: mixture of alcohol ethoxylates (C16-18, < 2.5 EO)
- Smiles notation of the components: CCCCCCCCCCCCCCCCO; CCCCCCCCCCCCCCCCCCO; OCCOCCCCCCCCCCCCCCCC; OCCOCCCCCCCCCCCCCCCCCC; OCCOCCOCCOCCCCCCCCCCCCCCCC; OCCOCCOCCOCCCCCCCCCCCCCCCCCC
- Analytical purity: not applicable

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
3.511 - 4.784
Temp.:
25 °C
Remarks on result:
other: Based on log Kow - the range of the calculated values represents the variation of carbon chain length and the degree of ethoxylation according to substance specifications.
Type:
Koc
Value:
3 242 - 60 790
Temp.:
25 °C
Remarks on result:
other: Based on log Kow - the range of the calculated values represents the variation of carbon chain length and the degree of ethoxylation according to substance specifications.

Any other information on results incl. tables

Table 1: Range of calculated Koc and log Koc values according to substance specifications (carbon chain length, degree of ethoxylation)

Structure

Koc

Log Koc

Alcohol, C16

17230

4.236

Alcohol, C18

60790

4.784

Alcohol ethoxylate, C16, 1 EO

9915

3.996

Alcohol ethoxylate, C18, 1 EO

34540

4.538

Alcohol ethoxylate, C16, 3 EO

3242

3.511

Alcohol ethoxylate, C18, 3 EO

11300

4.053

Applicant's summary and conclusion