1,1,5-Trimethylheptyl butyrate
2,6-dimethyloctan-2-yl butanoate
Also Known As: 1,1,5-Trimethylheptyl butyrate|2,6-dimethyloctan-2-yl butanoate|EINECS 306-311-0|1,1,5-trimethylheptylbutyrate|Butanoic acid 1,1,5-trimethylheptyl ester|1,1,5-Trimethylheptyl butyrate, 96846-75-2, EINECS 306-311-0, AC1MIGWW, CTK5H8983, 2,6-dimethyloctan-2-yl butanoate, AG-H-96163
CAS: 96846-75-2
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.20892 g/mol |
| LogP | 4.3247 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.20892 |
| Monoisotopic Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 196.91202 |
Chemical Identifiers
| CAS Number | 96846-75-2 |
|---|---|
| SMILES | CCCC(=O)OC(C)(C)CCCC(C)CC |
Product Overview
1,1,5-Trimethylheptyl butyrate (CAS 96846-75-2), with molecular formula C14H28O2 and molecular weight 228.20892 g/mol. IUPAC: 2,6-dimethyloctan-2-yl butanoate.
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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