4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester
ethyl (4E)-3,3,6-trimethylhepta-4,6-dienoate
Also Known As: ethyl 3,3,6-trimethyl-4,6-heptadienoate|ethyl 3,3,6-trimethylhepta-4,6-dienoate|ethyl (4E)-3,3,6-trimethylhepta-4,6-dienoate|4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester|Ethyl (4E)-3,3,6-trimethyl-4,6-heptadienoate #
CAS: 80348-48-7
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.14633 g/mol |
| LogP | 3.0981 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.14633 |
| Monoisotopic Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 236.70628 |
Chemical Identifiers
| CAS Number | 80348-48-7 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C)/C=C/C(=C)C |
Product Overview
4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester (CAS 80348-48-7), with molecular formula C12H20O2 and molecular weight 196.14633 g/mol. IUPAC: ethyl (4E)-3,3,6-trimethylhepta-4,6-dienoate.
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.
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