2,5,5-Trimethyl-cyclohex-3-enone
2,5,5-trimethylcyclohex-3-en-1-one
Also Known As: 2,5,5-Trimethyl-cyclohex-3-enone|2,5,5-trimethylcyclohex-3-en-1-one|2,5,5-Trimethyl-3-cyclohexen-1-one|3-Cyclohexen-1-one, 2,5,5-trimethyl-|2,5,5-Trimethyl-3-cyclohexen-1-one #
CAS: 58795-34-9
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10446 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 |
| Monoisotopic Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 58795-34-9 |
|---|---|
| SMILES | CC1C=CC(CC1=O)(C)C |
| InChIKey | IVSKDXCSHZLVON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (1 patents)
Product Overview
2,5,5-Trimethyl-cyclohex-3-enone (CAS 58795-34-9), with molecular formula C9H14O and molecular weight 138.10446 g/mol. IUPAC: 2,5,5-trimethylcyclohex-3-en-1-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
2,5,5-Trimethyl-cyclohex-3-enone is a custom synthesis product. We offer services from milligram to kilogram scale.
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