Isobutyl 3,5,5-trimethylhexanoate
2-methylpropyl 3,5,5-trimethylhexanoate
Also Known As: Isobutyl 3,5,5-trimethylhexanoate|EINECS 275-455-3|isobutyl3,5,5-trimethylhexanoate|2-methylpropyl 3,5,5-trimethylhexanoate|Hexanoic acid, 3,5,5-trimethyl-, isobutyl ester|Hexanoic acid,3,5,5-trimethyl-, 1,1-dimethylethyl ester
CAS: 71436-96-9
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19328 g/mol |
| LogP | 3.648 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.19328 |
| Monoisotopic Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 189.20287 |
Chemical Identifiers
| CAS Number | 71436-96-9 |
|---|---|
| SMILES | CC(C)COC(=O)CC(C)CC(C)(C)C |
Product Overview
Isobutyl 3,5,5-trimethylhexanoate (CAS 71436-96-9), with molecular formula C13H26O2 and molecular weight 214.19328 g/mol. IUPAC: 2-methylpropyl 3,5,5-trimethylhexanoate.
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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