1-(1,3-Benzodioxol-5-yl)butyl propanoate
1-(1,3-benzodioxol-5-yl)butyl propanoate
Also Known As: 1-(1,3-benzodioxol-5-yl)butyl propanoate|1-(2H-1,3-BENZODIOXOL-5-YL)BUTYL PROPANOATE
CAS: 6412-99-3
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12051 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 |
| Monoisotopic Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 6412-99-3 |
|---|---|
| SMILES | CCCC(C1=CC2=C(C=C1)OCO2)OC(=O)CC |
| InChIKey | YPUCVHTZEMAMKX-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-yl)butyl propanoate (CAS 6412-99-3), with molecular formula C14H18O4 and molecular weight 250.12051 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)butyl propanoate.
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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