Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 237-741-6 | CAS number: 13963-57-0
Additional ecotoxological information
Administrative data
- Endpoint:
- additional ecotoxicological information
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
Test guideline
- Guideline:
- other: QSAR
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Aluminium tris(2,4-pentanedionato-O,O')
- EC Number:
- 237-741-6
- EC Name:
- Aluminium tris(2,4-pentanedionato-O,O')
- Cas Number:
- 13963-57-0
- Molecular formula:
- C15H21AlO6
- IUPAC Name:
- aluminium tris(2,4-pentanedionato-O,O')
Constituent 1
Results and discussion
Any other information on results incl. tables
KOCWIN Program (v2.00) Results:
==============================
SMILES : [Al](OC(C)=CC(=O)C)(OC(C)=CC(=O)C)(OC(C)=CC(=O)C)
CHEM : Aluminum, tris(2,4-pentanedionato-o,o )-, (oc-6-11)-
MOL FOR: C15 H21 O6 Al1
MOL WT : 324.31
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 10.095
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 5.8624
Fragment Correction(s):
2 Ketone (-C-CO-C-) ................... : -2.2581
Corrected Log Koc .................................. : 3.6043
Estimated Koc: 4021 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : -1.67
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 0.0014
Fragment Correction(s):
2 Ketone (-C-CO-C-) ................... : 0.3912
Corrected Log Koc .................................. : 0.3926
Estimated Koc: 2.469 L/kg <===========
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.
