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Environmental fate & pathways

Biodegradation in soil

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Administrative data

Endpoint:
biodegradation in soil, other
Remarks:
The QSAR model attempts to predict the fate of an organic chemical in an evaluative environment
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
27/02/2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPISuite STPWIN

2. MODEL (incl. version number)
EPISuite STPWIN

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
c1(OCCNC(=O)CC)ccc(Oc2ccccc2)cc1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached document taken directly from the help file of STPWIN model

5. APPLICABILITY DOMAIN
Please refer to the attached document taken directly from the help file of STPWIN model

6. ADEQUACY OF THE RESULT
No QPRF report was provided by the tool but the query substance falls within the applicability domain of the model.

Data source

Reference
Reference Type:
other: Help file of EPI Suite STPWIN
Title:
STPWIN (EPI Suite)
Author:
US EPA
Year:
2012
Bibliographic source:
US EPA. [2012]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 or insert version used]. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Please refer to the attached document on the model methodology
GLP compliance:
no
Test type:
other: QSAR prediction

Test material

Constituent 1
Chemical structure
Reference substance name:
N-[2-(4-phenoxyphenoxy)ethyl]propanamide
EC Number:
600-606-0
Cas Number:
104825-66-3
Molecular formula:
C17H19NO3
IUPAC Name:
N-[2-(4-phenoxyphenoxy)ethyl]propanamide
Details on test material:
SMILES:c1(OCCNC(=O)CC)ccc(Oc2ccccc2)cc1

Results and discussion

Material (mass) balance
Remarks on result:
other: Total removal: 14.98%, Biodegradation: 0.2%, Sludge Adsorption: 14.78% and Volatilization: 0%
% Degradation
Remarks on result:
other: Total removal: 14.98%, Biodegradation: 0.2%, Sludge Adsorption: 14.78% and Volatilization: 0%
Transformation products:
not specified

Applicant's summary and conclusion

Executive summary:

Based on the predictions derived using Sewage Treatment Plant (STP) overall chemical mass balance using 10,000 hr, following information was derived:

Total removal: 14.98%, Biodegradation: 0.2%, Sludge Adsorption: 14.78% and Volatilization: 0%