Hexenoic acid 3-hexenyl ester
hex-3-enyl hex-2-enoate
Also Known As: hexenoic acid 3-hexenyl ester|cis-3-Hexenyl trans-2-hexenoate|[(Z)-hex-3-enyl] (E)-hex-2-enoate|(2E)-2-Hexenoic Acid (3Z)-3-Hexenyl Ester
CAS: 53398-87-1
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.14633 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 196.14633 |
| Monoisotopic Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 53398-87-1 |
|---|---|
| SMILES | CCCC=CC(=O)OCCC=CCC |
| InChIKey | WAZKUHYKUCORDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Pharmaceutical Intermediates (1 patents)
Product Overview
Hexenoic acid 3-hexenyl ester (CAS 53398-87-1), with molecular formula C12H20O2 and molecular weight 196.14633 g/mol. IUPAC: hex-3-enyl hex-2-enoate.
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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