Registration Dossier
Registration Dossier
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EC number: 600-606-0 | CAS number: 104825-66-3
Biodegradation in soil
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:
- 2 012
- 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
- 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
Constituent 1
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%
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