 trans-Isosafrole | |
 cis-Isosafrole | |
 | |
| Names | |
|---|---|
| Preferred IUPAC name 5-(Prop-1-enyl)-2H-1,3-benzodioxole | |
| Other names 5-(1-Propenyl)-1,3-benzodioxole 3,4-Methylenedioxyphenyl-1-propene | |
| Identifiers | |
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3D model (JSmol) |
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| ChEBI | |
| ChEMBL | |
| ChemSpider | |
| ECHA InfoCard | 100.004.010 |
| EC Number |
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| KEGG |
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| RTECS number |
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| UNII |
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| UN number | 3082 |
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| Properties | |
| C10H10O2 | |
| Molar mass | 162.188 g·mol−1 |
| Density | 1.1206 g/cm3,trans 1.1182 g/cm3,cis |
| Melting point | 8.2 °C (46.8 °F; 281.3 K)trans −21.5 °C,cis |
| Boiling point | 255 °C (491 °F; 528 K)trans 243 °C,cis |
| Hazards | |
| GHS labelling: | |
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| Danger | |
| H302,H315,H341,H350 | |
| P201,P202,P264,P270,P280,P281,P301+P312,P302+P352,P308+P313,P321,P330,P332+P313,P362,P405,P501 | |
| Legal status | |
Except where otherwise noted, data are given for materials in theirstandard state (at 25 °C [77 °F], 100 kPa). | |
Isosafrole is anorganic compound that is used in the fragrance industry. Structurally, the molecule is related toallylbenzene, a type of aromatic organic chemical. Its fragrance is reminiscent ofanise orlicorice. It is found in small amounts in variousessential oils, but is most commonly obtained byisomerizing the plant oilsafrole. It exists as two geometric isomers,cis-isosafrole andtrans-isosafrole.
Isosafrole is a precursor to the important fragrancepiperonal.[3] It can also be converted via the intermediate compoundMDP2P into thepsychoactive drugMDMA ('ecstasy'). As such it requires permits to purchase or sell in any significant quantity in the US.
