Registration Dossier
Registration Dossier
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EC number: 204-646-6 | CAS number: 123-72-8
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- other: Calculated using PCKOCWIN v.1.66
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well-documented publication/study report which meets basic scientific principles
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 007
Materials and methods
- Principles of method if other than guideline:
- Calculation with PCKOCWIN v1.66
- GLP compliance:
- no
- Type of method:
- other: Calculation
- Media:
- other: Calculation
Test material
- Reference substance name:
- n-Butanal
- IUPAC Name:
- n-Butanal
- Reference substance name:
- 000123-72-8
- Cas Number:
- 000123-72-8
- IUPAC Name:
- 000123-72-8
- Details on test material:
- Not relevant
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not relevant - Radiolabelling:
- no
Study design
- Test temperature:
- Not relevant
HPLC method
- Details on study design: HPLC method:
- Not relevant
Batch equilibrium or other method
- Analytical monitoring:
- not required
- Details on sampling:
- Not relevant
- Details on matrix:
- Not relevant
- Details on test conditions:
- Not relevant
- Computational methods:
- Calculation with PCKOCWIN v1.66
Results and discussion
Adsorption coefficient
- Type:
- Koc
- Value:
- 5.1
Results: HPLC method
- Details on results (HPLC method):
- Not relevant
Results: Batch equilibrium or other method
- Adsorption and desorption constants:
- Not relevant
- Recovery of test material:
- Not relevant
- Concentration of test substance at end of adsorption equilibration period:
- Not relevant
- Concentration of test substance at end of desorption equilibration period:
- Not relevant
- Details on results (Batch equilibrium method):
- Not relevant
- Statistics:
- Not relevant
Any other information on results incl. tables
Koc (estimated): 5.1
First
Order Molecular Connectivity Index
........... :
2.414
Non-Corrected Log Koc ..............................
: 1.9072
Fragment Correction(s):
1 Misc (C=O) Group (aliphatic attach).... : -1.2000
Corrected
Log Koc ..................................
: 0.7072
Estimated Koc:
5.096
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Estimated Koc: 5.096
- Executive summary:
Estimated Koc: 5.096
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