Registration Dossier
Registration Dossier
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EC number: 236-425-5 | CAS number: 13361-34-7
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 ((C) 1994-2011 ACD/Labs)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR-method
- Title:
- Adsorption/desorption
- Author:
- ACD Labs
- Year:
- 2 011
- Bibliographic source:
- Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 ((C) 1994-2011 ACD/Labs)
Materials and methods
- Principles of method if other than guideline:
- calculated result with ACD Labs software
- GLP compliance:
- no
- Type of method:
- other: QSAR-method
Test material
- Reference substance name:
- 2-ethylhexyl cyanoacetate
- EC Number:
- 236-425-5
- EC Name:
- 2-ethylhexyl cyanoacetate
- Cas Number:
- 13361-34-7
- Molecular formula:
- C11H19NO2
- IUPAC Name:
- 2-ethylhexyl 2-cyanoacetate
Constituent 1
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- 91.5
- Temp.:
- 25 °C
- Remarks on result:
- other: pH 4
- Type:
- Koc
- Value:
- 3.09
- Temp.:
- 25 °C
- Remarks on result:
- other: pH 7
- Type:
- Koc
- Value:
- 3
- Temp.:
- 25 °C
- Remarks on result:
- other: pH 9
Any other information on results incl. tables
calculated result with ACD Labs software
Applicant's summary and conclusion
- Conclusions:
- result of adsorption/desorption shows log Koc 91.50 at 25°C and pH 4, log Koc 3.09 at 25°C and pH 7, log Koc 3.00 at 25°C and pH 9 (calculated result with ACD Labs software)
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