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EC number: 306-549-5 | CAS number: 97281-48-6
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- QSAR calculations applying the valid QSAR calculation tool EPI-Suite (EPIWEB v 4.1) were conducted based on the CAS no: 97281-48-6
Data source
Reference
- Reference Type:
- other: QSAR calculation
- Title:
- Unnamed
- Year:
- 2 000
Materials and methods
- Principles of method if other than guideline:
- BIOWIN v4.10
Test material
- Reference substance name:
- Phosphatidylcholines, soya, hydrogenated
- EC Number:
- 306-549-5
- EC Name:
- Phosphatidylcholines, soya, hydrogenated
- Cas Number:
- 97281-48-6
- Molecular formula:
- C44H88NO8P
- IUPAC Name:
- [(2R)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
- Test material form:
- other: Estimation based on CAS number
- Details on test material:
- CAS number 97281-48-6
Constituent 1
- Specific details on test material used for the study:
- QSAR calculation based on CAS: 97281-48-6
Results and discussion
% Degradation
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9356
Biowin2 (Non-Linear Model) : 0.9736
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3256 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7009 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7640
Biowin6 (MITI Non-Linear Model): 0.5653
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4786
Ready Biodegradability Prediction: NO
Applicant's summary and conclusion
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- Based on QSAR (BIOWIN v4.10) estimations, phosphatidylcholines, soya, hydrogenated is not readily biodegradable.
- Executive summary:
Based on QSAR (BIOWIN v4.10) estimations, phosphatidylcholines, soya, hydrogenated is not readily biodegradable.
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