Registration Dossier
Registration Dossier
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EC number: 200-798-2 | CAS number: 73-32-5
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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 adequate and reliable documentation / justification
- Justification for type of information:
- See "any other information on materials and methods" for justification.
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- KOCWIN v2.00
- Author:
- EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation.
- Year:
- 2 000
- Bibliographic source:
- http://www.epa.gov/opptintr/exposure/pubs/episuite.htm
Materials and methods
Test material
- Reference substance name:
- L-isoleucine
- EC Number:
- 200-798-2
- EC Name:
- L-isoleucine
- Cas Number:
- 73-32-5
- Molecular formula:
- C6H13NO2
- IUPAC Name:
- L-isoleucine
- Test material form:
- solid: crystalline
Constituent 1
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- log Koc
- Value:
- -0.817
- Remarks on result:
- other: Estimated from the Log Kow
- Type:
- log Koc
- Value:
- 0.895
- Remarks on result:
- other: Estimated from the MCI method.
Applicant's summary and conclusion
- Conclusions:
- Depending on the calculation method used, the log Koc was found to be -0.8174 (based on log Kow) or 0.8951 (based on MCI method).
- Executive summary:
The log Koc was calculated by EpiSuite's KOCWIN model.
The suitability of the model was assessed and it was concluded that L-isoleucine is considered to be inside the applicability domain of the EpiSuite KOCWIN model.
Depending on the calculation method used, the log Koc was found to be -0.8174 (based on log Kow) or 0.8951 (based on MCI method).
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