Registration Dossier
Registration Dossier
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EC number: 425-780-3 | CAS number: 125971-94-0
Additional toxicological data
Administrative data
- Endpoint:
- additional toxicological information
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Study period:
- 2009
- Reliability:
- 1 (reliable without restriction)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Materials and methods
- Type of study / information:
- in silico QSAR analyze (DEREK for Windows)
- GLP compliance:
- no
Test material
- Reference substance name:
- tert-butyl (4R)-cis-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
- EC Number:
- 425-780-3
- EC Name:
- tert-butyl (4R)-cis-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
- Cas Number:
- 125971-94-0
- Molecular formula:
- C14H23NO4
- IUPAC Name:
- butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Constituent 1
Results and discussion
Any other information on results incl. tables
Compound name: tert-Butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Relative molecular mass: 269.341 Calculated by LPS
Exact molecular mass: 269.16271 Calculated by LPS
Log Kp: -3.112 cm/h [for Kp] Obtained from External Data Source
Molecular weight = 269.341
Log P value used in Log Kp calculation = 1.7616
Log P: 1.762 Obtained from External Data Source
Submitted compound:
List of alerts found:
Nothing to report
Applicant's summary and conclusion
- Executive summary:
There are no structural alerts in a molecule.
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.
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