Registration Dossier
Registration Dossier
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EC number: 404-360-3 | CAS number: 119313-12-1 CG 25-369; IRGACURE 369; TK 11-319
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Endpoint was generated by using EPI Suite TM (v.4.10), KOCWIN (v. 2.0) Program according to ECHA Guidance (Chapter R.7a, section R.7.1.5)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA, Guidance on information requirements and chemical safety assessment, R. 7a, section R.7.1.15 Adsorption/desorption
- Principles of method if other than guideline:
- Method: EPI Suite TM (v. 4.10), KOCWIN Program (v. 2.0)
KOCWIN (v. 2.0): formerly called PCKOCWIN™, this program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. KOC. KOC is estimated using two different models: the Sabljic molecular connectivity method with improved correction factors; and the traditional method based on log KOW. - GLP compliance:
- no
- Type of method:
- other: MCI Method and Kow Method
- Media:
- soil
Test material
- Reference substance name:
- 2-benzyl-2-dimethylamino-4'-morpholinobutyrophenone
- EC Number:
- 404-360-3
- EC Name:
- 2-benzyl-2-dimethylamino-4'-morpholinobutyrophenone
- Cas Number:
- 119313-12-1
- Molecular formula:
- C23H20N2O2
- IUPAC Name:
- 2-benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one
- Test material form:
- other: crystal
- Details on test material:
- Substance name: 2-benzyl-2-dimethylamino-4-morpholinobutyrophenone
SMILES notation: CCC(Cc1ccccc1)(N(C)C)C(=O)c1ccc(cc1)N1CCOCC1
CAS number: 119313-12-1
Molecular formula: C23H30N2O2
Molecular weight: 366.5
Constituent 1
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- log Koc
- Value:
- 3.824
- Remarks on result:
- other: MCI Method
- Type:
- log Koc
- Value:
- 3.389
- Remarks on result:
- other: Kow Method
Applicant's summary and conclusion
- Conclusions:
- USing the KOCWIN (v. 2.0) Program the log Koc was determined to be 3.824 (MCI Method) or 3.389 (Kow Method).
For derivation PNEC sediment and PNEC soil the equilibrium partitioning method (EPM) were used with an average value of Koc from MCI and KOW Method of 4554 L/kg.
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