1,1,5-Trimethylheptyl valerate
2,6-dimethyloctan-2-yl pentanoate
Also Known As: 1,1,5-Trimethylheptyl valerate|2,6-dimethyloctan-2-yl pentanoate|1,1,5-trimethylheptylvalerate|EINECS 306-308-4|Pentanoic acid 1,1,5-trimethylheptyl ester|1,1,5-Trimethylheptyl valerate, EINECS 306-308-4, CID3024705, 96846-73-0
CAS: 96846-73-0
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22458 g/mol |
| LogP | 4.7148 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 242.22458 |
| Monoisotopic Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 208.96736 |
Chemical Identifiers
| CAS Number | 96846-73-0 |
|---|---|
| SMILES | CCCCC(=O)OC(C)(C)CCCC(C)CC |
Product Overview
1,1,5-Trimethylheptyl valerate (CAS 96846-73-0), with molecular formula C15H30O2 and molecular weight 242.22458 g/mol. IUPAC: 2,6-dimethyloctan-2-yl pentanoate.
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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