Citronellyl isobutyrate
3,7-dimethyloct-6-enyl 2-methylpropanoate
CAS: 97-89-2
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.35 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 97-89-2 |
|---|---|
| SMILES | CC(C)C(=O)OCCC(C)CCC=C(C)C |
| InChIKey | ZGPPERKMXSGYRK-UHFFFAOYSA-N |
📖 Product Overview
Citronellyl isobutyrate (CAS: 97-89-2) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.35 g/mol. Its IUPAC systematic name is 3,7-dimethyloct-6-enyl 2-methylpropanoate.
ZGPPERKMXSGYRK-UHFFFAOYSA-N.
SMILES: CC(C)C(=O)OCCC(C)CCC=C(C)C.
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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What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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📚 Academic Support
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