Registration Dossier
Registration Dossier
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EC number: 611-696-6 | CAS number: 58543-16-1
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- Please find the attachments.
Data source
Reference
- Title:
- EPI Suite V4.11 - BioWin v4.11 - ready biodegradability
- Year:
- 2 017
- Bibliographic source:
- Linear Model Prediction; Non-Linear Model Prediction; Ultimate Biodegradation Timeframe; Primary Biodegradation Timeframe; MITI Linear Model Prediction; MITI Non-Linear Model Prediction; Anaerobic Model Prediction)
Materials and methods
- Principles of method if other than guideline:
- Biowin1 (Linear Model Prediction)
Biowin2 (Non-Linear Model Prediction)
Biowin3 (Ultimate Biodegradation Timeframe)
Biowin4 (Primary Biodegradation Timeframe)
Biowin5 (MITI Linear Model Prediction)
Biowin6 (MITI Non-Linear Model Prediction)
Biowin7 (Anaerobic Model Prediction)
See field 'Attached justification' for more information.
Test material
- Reference substance name:
- (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9S,10R,13S)-13-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
- EC Number:
- 611-696-6
- Cas Number:
- 58543-16-1
- Molecular formula:
- C44H70O23
- IUPAC Name:
- (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9S,10R,13S)-13-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SMILES: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)O
Results and discussion
% Degradation
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
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