Registration Dossier
Registration Dossier
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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: 246-240-1 | CAS number: 24424-99-5
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:
- 2 015
Materials and methods
Test guideline
- Guideline:
- other: QSAR
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Di(tert-butyl) carbonate
- EC Number:
- 246-240-1
- EC Name:
- Di(tert-butyl) carbonate
- Cas Number:
- 24424-99-5
- Molecular formula:
- C10H18O5
- IUPAC Name:
- di-tert-butyl carbonate
Constituent 1
Results and discussion
Any other information on results incl. tables
KOCWIN Program (v2.00) Results:
==============================
SMILES : O=C(OC(=O)OC(C)(C)C)OC(C)(C)C
CHEM : Dicarbonic acid, bis(1,1-dimethylethyl) ester
MOL FOR: C10 H18 O5
MOL WT : 218.25
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 6.495
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.9855
Fragment Correction(s):
2 Misc (C=O) Group (aliphatic attach).... : -3.2093
Corrected Log Koc .................................. : 0.7762
Over Correction Adjustment to Lower Limit Log Koc ... : 1.0000
Estimated Koc: 10 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 1.87
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 1.9595
Fragment Correction(s):
2 Misc (C=O) Group (aliphatic attach).... : -0.4586
Corrected Log Koc .................................. : 1.5009
Estimated Koc: 31.69 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.
