5,7,7-Trimethyl-1-octyl propionate
5,7,7-trimethyloctyl propanoate
Also Known As: 5,7,7-Trimethyl-1-octyl propionate|5,7,7-trimethyloctyl propanoate|EINECS 289-260-6|5,7,7-trimethyl-1-octylpropionate|5,7,7-trimethyloctyl propionate|1-Octanol, 5,7,7-trimethyl-, 1-propanoate|Propanoic acid (5,7,7-trimethyloctyl) ester
CAS: 86606-44-2
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.20892 g/mol |
| LogP | 4.1822 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.20892 |
| Monoisotopic Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 191.40225 |
Chemical Identifiers
| CAS Number | 86606-44-2 |
|---|---|
| SMILES | CCC(=O)OCCCCC(C)CC(C)(C)C |
Product Overview
5,7,7-Trimethyl-1-octyl propionate (CAS 86606-44-2), with molecular formula C14H28O2 and molecular weight 228.20892 g/mol. IUPAC: 5,7,7-trimethyloctyl propanoate.
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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