4,4-Dimethyl-2-pentenal
4,4-dimethylpent-2-enal
Also Known As: 4,4-dimethyl-2-pentenal|4,4-Dimethylpent-2-enal|4,4-dimethyl-pent-2-enal|2-Pentenal, 4,4-dimethyl-|2-Pentenal, 4,4-dimethyl-, (E)-
CAS: 22597-46-2
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.08881 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.08881 |
| Monoisotopic Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 22597-46-2 |
|---|---|
| SMILES | CC(C)(C)C=CC=O |
| InChIKey | JZJVARRPMMVFRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (15 patents)
Electronic Chemicals (2 patents)
Heterocyclic Building Blocks (8 patents)
Organic Building Blocks (42 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
4,4-Dimethyl-2-pentenal (CAS 22597-46-2), with molecular formula C7H12O and molecular weight 112.08881 g/mol. IUPAC: 4,4-dimethylpent-2-enal.
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 →
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