Registration Dossier
Registration Dossier
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EC number: 202-025-4 | CAS number: 90-93-7
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2021
- 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:
- 1. SOFTWARE
EPISUITE copyright 2000-2012
2. MODEL (incl. version number)
KOCWIN v2.00 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES: O=C(c(ccc(N(CC)CC)c1)c1)c(ccc(N(CC)CC)c2)c2
CHEM : Methanone, bis 4-(diethylamino)phenyl -
MOL FOR: C21 H28 N2 O1
MOL WT : 324.47
CAS: 90-93-7
Log Kow: 5.2
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See method attached
5. APPLICABILITY DOMAIN
See accuracy and domain attached
6. ADEQUACY OF THE RESULT
The result is expressed as a Log Koc value which is the same as an experimental result. The Log Koc can be used to model adsorption to soil and therefore indicate transport between the environmental compartments.
Data source
Reference
- Reference Type:
- publication
- Title:
- Kocwin v2.00
- Author:
- US EPA
- Year:
- 2 010
- Bibliographic source:
- Meylan et al, 1992
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Meylan et al, 1992
- Version / remarks:
- Kocwin v2.00
- Deviations:
- no
Test material
- Reference substance name:
- 4,4'-bis(diethylamino)benzophenone
- EC Number:
- 202-025-4
- EC Name:
- 4,4'-bis(diethylamino)benzophenone
- Cas Number:
- 90-93-7
- Molecular formula:
- C21H28N2O
- IUPAC Name:
- 4-[4-(diethylamino)benzoyl]-N,N-diethylaniline
Constituent 1
Results and discussion
Adsorption coefficientopen allclose all
- Sample No.:
- #2
- Type:
- Koc
- Value:
- 7 355 L/kg
- Remarks on result:
- other: Koc estimate from Log Kow
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 4 383 L/kg
- Remarks on result:
- other: Koc estimate from MCI
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
