Registration Dossier
Registration Dossier
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EC number: 306-549-5 | CAS number: 97281-48-6
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- 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:
- QSAR calculation tool EPI-Suite (EPIWEB v 4.1) is used. Koc is calculated using the KOCWIN v2.00 (MCI method)
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
Adsorption coefficient
- Key result
- Type:
- Koc
- Value:
- 1 615 000 000 L/kg
- Remarks on result:
- other: MCI Method
Applicant's summary and conclusion
- Conclusions:
- The Soil Adsorption Coefficient, Koc was estimated (KOCWIN v2.00), to be 1.615E+009 L/kg (MCI method).
- Executive summary:
The Soil Adsorption Coefficient, Koc was estimated (KOCWIN v2.00), to be 1.615E+009 L/kg (MCI method).
Log Koc = 9.2
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