HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(Chloromethyl)-6-propyl-1,3-benzodioxole
TIMTEC-BB SBB005588 · Chloromethyldihydrosafrole · 1,3-BENZODIOXOLE, 5-(CHLOROMETHYL)- · 5-(chloromethyl)-6-propyl-3-benzodioxole · 5-(chloromethyl)-6-propyl-1,3-benzodioxole · 1,3-Benzodioxole, 5-(chloromethyl)-6-propyl- · 5-(Chloromethyl)-6-propylbenzo[d][1,3]dioxole
Identifiers & Physical Properties
| CAS No. | 1938-32-5 |
|---|---|
| Molecular formula | C11H13ClO2 |
| Average molar mass | 212.67 g/mol |
| Monoisotopic mass | 212.06040734 g/mol |
| SMILES | CCCc1cc2c(cc1CCl)OCO2 |
| InChIKey | HERYYLFZPLNJDW-UHFFFAOYSA-N |
| PubChem CID | 74739 |
| EC No. | 217-715-0 |
| DTXSID | DTXSID8062070 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 18.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 186 |
| Boiling point | 97 °C |
| Density | 1+-.0.06 g/cm3(Predicted) |
| FDA UNII | KK69BL3V3G |
| EPA Substance Registry System | 1,3-Benzodioxole, 5-(chloromethyl)-6-propyl- (1938-32-5) |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| TSCA inventory status | TSCA listed |
|---|
Applications & Uses
Uses
5-(Chloromethyl)-6-propylbenzo[d][1,3]dioxole is an intermediate for the synthesis of Piperonyl Butoxide-d9 (P490202), which is a deuterated analog of Piperonyl Butoxide an Insecticide synergist, especially for pyrethroids and rotenone. Also used in Cannabis testing.