3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate
[3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate
Also Known As: 3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate|3-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate|3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 2-acetate
CAS: 76649-19-9
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19328 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.19328 |
| Monoisotopic Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 76649-19-9 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=C(C)C(C)OC(=O)C |
| InChIKey | OAJKZBWQHVYGAI-UHFFFAOYSA-N |
Product Overview
3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate (CAS 76649-19-9), with molecular formula C16H26O2 and molecular weight 250.19328 g/mol. IUPAC: [3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate.
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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3-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate is a custom synthesis product. We offer services from milligram to kilogram scale.
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